Desthiobenzylpenicillin
TL;DR: Desthiobenzylpenicillin (CAS 5430-19-3) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-methyl-2-[(3S)-2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]butanoic acid
Also Known As: Desthiobenzylpenicillin, Dethiobenzylpenicillin, (2R)-3-methyl-2-[(3S)-2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]butanoic acid, (2r)-3-methyl-2-{(3s)-2-oxo-3-[(phenylacetyl)amino]azetidin-1-yl}butanoic acid, 1-Azetidineacetic acid, alpha-(1-methylethyl)-2-oxo-3-((phenylacetyl)amino)-, (R-(R*,S*))-
| Molecular Formula | C16H20N2O4 |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.1423 |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 5430-19-3 |
|---|---|
| SMILES | CC(C)[C@H](C(=O)O)N1C[C@@H](C1=O)NC(=O)CC2=CC=CC=C2 |
| InChIKey | FZGPEVZHDQGHEP-GXTWGEPZSA-N |
Product Overview
Desthiobenzylpenicillin (CAS 5430-19-3), with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol. IUPAC: (2R)-3-methyl-2-[(3S)-2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]butanoic acid.
Chemical Property Profile of Desthiobenzylpenicillin
Property Insights of Desthiobenzylpenicillin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desthiobenzylpenicillin. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Desthiobenzylpenicillin. Following Lipinski's Rule of Five, Desthiobenzylpenicillin has 2 hydrogen bond donor(s) and 4 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 Desthiobenzylpenicillin?
The CAS number of Desthiobenzylpenicillin is 5430-19-3.
What is the molecular formula of Desthiobenzylpenicillin?
The molecular formula of Desthiobenzylpenicillin is C16H20N2O4.
What is the molecular weight of Desthiobenzylpenicillin?
The molecular weight of Desthiobenzylpenicillin is 304.14 g/mol.
Where can I buy Desthiobenzylpenicillin?
You can request a quote for Desthiobenzylpenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desthiobenzylpenicillin?
Yes, KEHONG BIO provides custom synthesis services for Desthiobenzylpenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.