4-Hydroxypenicillin V
TL;DR: 4-Hydroxypenicillin V (CAS 23767-80-8) is a chemical compound with molecular formula C16H18N2O6S and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[2-(4-hydroxyphenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 4-Hydroxypenicillin V, p-Hydroxypenicillin V, Phenoxymethylpenicillin EP Impurity D, 4-Hydroxyphenoxymethylpenicillin, p-Hydroxypenicillin V (~90%)
| Molecular Formula | C16H18N2O6S |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.08856 |
| Heavy Atoms | 25 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 23767-80-8 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=C(C=C3)O)C(=O)O)C |
| InChIKey | DXLWRYXQESUXNE-MBNYWOFBSA-N |
Product Overview
4-Hydroxypenicillin V (CAS 23767-80-8), with molecular formula C16H18N2O6S and molecular weight 366.09 g/mol. IUPAC: (2S,5R,6R)-6-[[2-(4-hydroxyphenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 4-Hydroxypenicillin V
Property Insights of 4-Hydroxypenicillin V
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxypenicillin V. The TPSA of 141.0 Ų indicates high polarity, suggesting 4-Hydroxypenicillin V may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Hydroxypenicillin V has 3 hydrogen bond donor(s) and 7 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 4-Hydroxypenicillin V?
The CAS number of 4-Hydroxypenicillin V is 23767-80-8.
What is the molecular formula of 4-Hydroxypenicillin V?
The molecular formula of 4-Hydroxypenicillin V is C16H18N2O6S.
What is the molecular weight of 4-Hydroxypenicillin V?
The molecular weight of 4-Hydroxypenicillin V is 366.09 g/mol.
Where can I buy 4-Hydroxypenicillin V?
You can request a quote for 4-Hydroxypenicillin V directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxypenicillin V?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxypenicillin V and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.