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Screening compounds

Diphenicillin

Also known as Biphenicillin, Ancillin, 2-Biphenylpenicillin

CAS 304-43-8Formula C21H20N2O4SMolar mass 396.47 g/molEC 206-154-7
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Diphenicillin chemical structure, C21H20N2O4S, CAS 304-43-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
304-43-8
Formula
C21H20N2O4S
Molar mass
396.47 g/mol
EC number
206-154-7
HS code
294110
Category
Screening compounds

What is Diphenicillin?

Plain description, key identifiers and synonyms

Diphenicillin is a chemical substance with the molecular formula C21H20N2O4S and a molar mass of 396.47 g/mol. Its CAS registry number is 304-43-8. The IUPAC name is (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS number
304-43-8 CAS number cross-checked
EC number
206-154-7
Molecular formula
C21H20N2O4S
InChIKey
BBQSZMJQBZBHAO-JTDSTZFVSA-N
InChI
InChI=1S/C21H20N2O4S/c1-21(2)16(20(26)27)23-18(25)15(19(23)28-21)22-17(24)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11,15-16,19H,1-2H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1
Canonical SMILES
CC1(C)SC2C(NC(=O)c3ccccc3-c3ccccc3)C(=O)N2C1C(=O)O
Isomeric SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=O)O)C

Synonyms

  • Biphenicillin
  • Ancillin
  • 2-Biphenylpenicillin
  • SKF 12141
  • (2S-(2alpha,5alpha,6beta))-6-((1,1'-Biphenyl)-2-ylformamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((1,1'-biphenyl)-2-ylcarbonyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta))-
  • (2S,5R,6R)-6-([1,1'-Biphenyl]-2-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-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
396.47 g/molcalc.
Exact mass
396.1144 Dacalc.
LogP (octanol/water)
2.6calc.
Topological polar surface area
86.71 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
3calc.
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(NC1C(=O)N2CCSC12)c1ccccc1-c1ccccc1

O=C(NC1C(=O)N2CCSC12)c1ccccc1-c1ccccc1

4 rings, 23 atoms.

3 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.

Diphenicillin suppliers

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Diphenicillin 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 Diphenicillin 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 Diphenicillin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Diphenicillin, based on the data on this page

What is Diphenicillin?

Diphenicillin is a chemical substance with the molecular formula C21H20N2O4S and a molar mass of 396.47 g/mol. Its CAS registry number is 304-43-8. The IUPAC name is (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

What is the CAS number of Diphenicillin?

The CAS registry number of Diphenicillin is 304-43-8.

What is the molecular formula and weight of Diphenicillin?

The molecular formula of Diphenicillin is C21H20N2O4S and its molar mass is 396.47 g/mol.

What is Diphenicillin used for?

Known uses and roles of Diphenicillin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Diphenicillin hazardous?

No GHS hazard classification for Diphenicillin 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 Diphenicillin?

Diphenicillin 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 Diphenicillin?

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What is the price of Diphenicillin?

Suppliers quote Diphenicillin 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 Diphenicillin

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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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