Bacbenzylpenicillin
TL;DR: Bacbenzylpenicillin (CAS 37660-97-2) is a chemical compound with molecular formula C21H26N2O7S and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Bacbenzylpenicillin, KST-1B4277, benzylpenicillin 1'-[(ethoxycarbonyl)oxy]ethyl ester, 1'-ethoxycarbonyloxyethyl 6, A-phenylacetamidopenicillanate
| Molecular Formula | C21H26N2O7S |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 450.14606 |
| Heavy Atoms | 31 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 37660-97-2 |
|---|---|
| SMILES | CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C |
| InChIKey | LLOPNXSHSVOOOI-NZHQHIMKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bacbenzylpenicillin (CAS 37660-97-2), with molecular formula C21H26N2O7S and molecular weight 450.15 g/mol. IUPAC: 1-ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Bacbenzylpenicillin
Property Insights of Bacbenzylpenicillin
The XLogP value of 3.3 indicates that Bacbenzylpenicillin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bacbenzylpenicillin. Following Lipinski's Rule of Five, Bacbenzylpenicillin has 1 hydrogen bond donor(s) and 8 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 Bacbenzylpenicillin?
The CAS number of Bacbenzylpenicillin is 37660-97-2.
What is the molecular formula of Bacbenzylpenicillin?
The molecular formula of Bacbenzylpenicillin is C21H26N2O7S.
What is the molecular weight of Bacbenzylpenicillin?
The molecular weight of Bacbenzylpenicillin is 450.15 g/mol.
Where can I buy Bacbenzylpenicillin?
You can request a quote for Bacbenzylpenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacbenzylpenicillin?
Yes, KEHONG BIO provides custom synthesis services for Bacbenzylpenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.