Penicillin V, methyl ester
TL;DR: Penicillin V, methyl ester (CAS 2315-05-1) is a chemical compound with molecular formula C17H20N2O5S and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Penicillin V, methyl ester, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-, methyl ester, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxy-acetylamino)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid methyl ester, (2S,5R,6R)-Methyl 3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Methyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C17H20N2O5S |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.10928 |
| Heavy Atoms | 25 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 2315-05-1 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OC)C |
| InChIKey | JYVSRPXYJNDSQP-VNHYZAJKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Penicillin V, methyl ester (CAS 2315-05-1), with molecular formula C17H20N2O5S and molecular weight 364.11 g/mol. IUPAC: methyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Penicillin V, methyl ester
Property Insights of Penicillin V, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penicillin V, methyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Penicillin V, methyl ester. Following Lipinski's Rule of Five, Penicillin V, methyl ester has 1 hydrogen bond donor(s) and 6 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 Penicillin V, methyl ester?
The CAS number of Penicillin V, methyl ester is 2315-05-1.
What is the molecular formula of Penicillin V, methyl ester?
The molecular formula of Penicillin V, methyl ester is C17H20N2O5S.
What is the molecular weight of Penicillin V, methyl ester?
The molecular weight of Penicillin V, methyl ester is 364.11 g/mol.
Where can I buy Penicillin V, methyl ester?
You can request a quote for Penicillin V, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penicillin V, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Penicillin V, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.