Diphenicillin
TL;DR: Diphenicillin (CAS 304-43-8) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Biphenicillin, Diphenicillin, Ancillin, Sodium ancillin, 2-Biphenylpenicillin
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 304-43-8 |
|---|---|
| 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 |
| InChIKey | BBQSZMJQBZBHAO-JTDSTZFVSA-N |
Product Overview
Diphenicillin (CAS 304-43-8), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylbenzoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Diphenicillin
Property Insights of Diphenicillin
The XLogP value of 3.5 indicates that Diphenicillin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diphenicillin. Following Lipinski's Rule of Five, Diphenicillin has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diphenicillin?
The CAS number of Diphenicillin is 304-43-8.
What is the molecular formula of Diphenicillin?
The molecular formula of Diphenicillin is C21H20N2O4S.
What is the molecular weight of Diphenicillin?
The molecular weight of Diphenicillin is 396.11 g/mol.
Where can I buy Diphenicillin?
You can request a quote for Diphenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenicillin?
Yes, KEHONG BIO provides custom synthesis services for Diphenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.