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Impurities and reference standards

Penilloic acid

Also known as 4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(((2-phenylacetyl)amino)methyl)-, 5,5-dimethyl-2-(((phenylacetyl)amino)methyl)-1,3-thiazolidine-4-carboxylic acid, 5,5-Dimethyl-2-((2-phenylacetamido)methyl)thiazolidine-4-carboxylic acid

CAS 501-34-8Formula C15H20N2O3SMolar mass 308.40 g/molEC 641-869-1
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard
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Penilloic acid chemical structure, C15H20N2O3S, CAS 501-34-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
501-34-8
Formula
C15H20N2O3S
Molar mass
308.40 g/mol
EC number
641-869-1
HS code
293410
Category
Impurities and reference standards

What is Penilloic acid?

Plain description, key identifiers and synonyms

Penilloic acid is a chemical substance with the molecular formula C15H20N2O3S and a molar mass of 308.40 g/mol. Its CAS registry number is 501-34-8. The IUPAC name is 5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid
CAS number
501-34-8 CAS number cross-checkedOther or deprecated CAS: 28325-47-5
EC number
641-869-1
Molecular formula
C15H20N2O3S
InChIKey
LRWFMQCGNBOTQP-UHFFFAOYSA-N
InChI
InChI=1S/C15H20N2O3S/c1-15(2)13(14(19)20)17-12(21-15)9-16-11(18)8-10-6-4-3-5-7-10/h3-7,12-13,17H,8-9H2,1-2H3,(H,16,18)(H,19,20)
SMILES (canonical and isomeric)
CC1(C(NC(S1)CNC(=O)CC2=CC=CC=C2)C(=O)O)C

Synonyms

  • 4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(((2-phenylacetyl)amino)methyl)-
  • 5,5-dimethyl-2-(((phenylacetyl)amino)methyl)-1,3-thiazolidine-4-carboxylic acid
  • 5,5-Dimethyl-2-((2-phenylacetamido)methyl)thiazolidine-4-carboxylic acid
  • Benzylpenicillin Impurity 48
  • Penilloate
  • Penillosaure
  • 5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid
  • 5,5-dimethyl-2-{[(2-phenylacetyl)amino]methyl}-1,3-thiazolane-4-carboxylic acid
  • 5,5-Dimethyl-2-[(2-phenylacetamido)methyl]-1,3-thiazolidine-4-carboxylic acid
  • (2R-trans)-5,5-Dimethyl-2-[[(phenylacetyl)amino]methyl]-4-thiazolidinecarboxylicAcid
  • 2-{[(1-Hydroxy-2-phenylethylidene)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
308.40 g/molcalc.
Exact mass
308.1195 Dacalc.
LogP (octanol/water)
1.24calc.
Topological polar surface area
78.43 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.47calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Cc1ccccc1)NCC1NCCS1

O=C(Cc1ccccc1)NCC1NCCS1

2 rings, 16 atoms.

46 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statements (12)
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P317If swallowed: Get medical help.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P330Rinse mouth.
  • P342 + P316If experiencing respiratory symptoms: Get emergency medical help immediately.
  • P403Store in a well-ventilated place.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Penilloic acid suppliers

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Penilloic acid price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Penilloic acid is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.88B
−16.1% vs 2023, imports $3.12B
2019 to 2024
Top exporters
  1. Switzerland * partner reported36.4%
  2. Ireland28.8%
  3. China10.0%
Top importers
  1. Canada33.4%
  2. United States14.4%
  3. Ireland13.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Penilloic acid is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Penilloic acid, based on the data on this page

What is Penilloic acid?

Penilloic acid is a chemical substance with the molecular formula C15H20N2O3S and a molar mass of 308.40 g/mol. Its CAS registry number is 501-34-8. The IUPAC name is 5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid.

What is the CAS number of Penilloic acid?

The CAS registry number of Penilloic acid is 501-34-8. Other or deprecated CAS numbers: 28325-47-5.

What is the molecular formula and weight of Penilloic acid?

The molecular formula of Penilloic acid is C15H20N2O3S and its molar mass is 308.40 g/mol.

Is Penilloic acid hazardous?

Penilloic acid carries the GHS signal word "Danger". Main hazards: harmful if swallowed, may cause allergy or asthma symptoms or breathing difficulties if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Penilloic acid?

Penilloic acid is usually classified under HS code 293410 (Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Penilloic acid?

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What is the price of Penilloic acid?

Suppliers quote Penilloic acid on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Penilloic acid

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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