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Impurities and reference standards

Piperacillin methyl ester

Also known as Piperacillin Impurity 11, (2S,5R,6R)-methyl 6-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Methyl (2S,5R,6R)-6-((R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

CAS 65700-41-6Formula C24H29N5O7SMolar mass 531.59 g/mol
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Piperacillin methyl ester chemical structure, C24H29N5O7S, CAS 65700-41-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65700-41-6
Formula
C24H29N5O7S
Molar mass
531.59 g/mol
HS code
294110
Category
Impurities and reference standards

What is Piperacillin methyl ester?

Plain description, key identifiers and synonyms

Piperacillin methyl ester is a chemical substance with the molecular formula C24H29N5O7S and a molar mass of 531.59 g/mol. Its CAS registry number is 65700-41-6. The IUPAC name is methyl (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS number
65700-41-6
Molecular formula
C24H29N5O7S
UNII
XR3XH2Q8TY
InChIKey
FMTASCUGZCLLOG-YUWJWYLASA-N
InChI
InChI=1S/C24H29N5O7S/c1-5-27-11-12-28(20(33)19(27)32)23(35)26-14(13-9-7-6-8-10-13)17(30)25-15-18(31)29-16(22(34)36-4)24(2,3)37-21(15)29/h6-10,14-16,21H,5,11-12H2,1-4H3,(H,25,30)(H,26,35)/t14-,15-,16+,21-/m1/s1
Canonical SMILES
CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)OC)c2ccccc2)C(=O)C1=O
Isomeric SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)OC

Synonyms

  • Piperacillin Impurity 11
  • (2S,5R,6R)-methyl 6-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Methyl (2S,5R,6R)-6-((R)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

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
531.59 g/molcalc.
Exact mass
531.1788 Dacalc.
LogP (octanol/water)
-0.15calc.
Topological polar surface area
145.4 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
6calc.
Heavy atoms
37calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (1 violation)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=C1NCCN(C(=O)NC(C(=O)NC2C(=O)N3CCSC23)c2ccccc2)C1=O

O=C1NCCN(C(=O)NC(C(=O)NC2C(=O)N3CCSC23)c2ccccc2)C1=O

4 rings, 29 atoms.

17 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Piperacillin methyl ester suppliers

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Piperacillin methyl ester 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

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 Piperacillin methyl ester is traded under.

HS 2941.10Indicative HS code

Penicillins and their derivatives with a penicillanic acid structure, salts thereof

World exports in 2024
$1.66B
−2.5% vs 2023, imports $1.63B
2019 to 2024
Top exporters
  1. China56.8%
  2. Spain13.1%
  3. India * partner reported7.7%
Top importers
  1. India * partner reported16.4%
  2. Austria9.3%
  3. Brazil5.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Piperacillin methyl ester, based on the data on this page

What is Piperacillin methyl ester?

Piperacillin methyl ester is a chemical substance with the molecular formula C24H29N5O7S and a molar mass of 531.59 g/mol. Its CAS registry number is 65700-41-6.

What is the CAS number of Piperacillin methyl ester?

The CAS registry number of Piperacillin methyl ester is 65700-41-6.

What is the molecular formula and weight of Piperacillin methyl ester?

The molecular formula of Piperacillin methyl ester is C24H29N5O7S and its molar mass is 531.59 g/mol.

What is Piperacillin methyl ester used for?

Known uses and roles of Piperacillin methyl ester include polymer antioxidants in plastics and polymers.

Is Piperacillin methyl ester hazardous?

No GHS hazard classification for Piperacillin methyl ester is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Piperacillin methyl ester?

Piperacillin methyl ester is usually classified under HS code 294110 (Penicillins and their derivatives with a penicillanic acid structure, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Piperacillin methyl ester?

CompoundList lists 1 supplier of Piperacillin methyl ester in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Piperacillin methyl ester?

Suppliers quote Piperacillin methyl ester 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 Piperacillin methyl ester

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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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