Penicillin X
TL;DR: Penicillin X (CAS 525-91-7) is a chemical compound with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Penicillin X, Penicillin III, p-Hydroxybenzylpenicillin, 4-hydroxybenzylpenicillin, p-Hydroxypenicillin G
| Molecular Formula | C16H18N2O5S |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.09363 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 525-91-7 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=C(C=C3)O)C(=O)O)C |
| InChIKey | AZCVBVRUYHKWHU-MBNYWOFBSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Penicillin X (CAS 525-91-7), with molecular formula C16H18N2O5S and molecular weight 350.09 g/mol. IUPAC: (2S,5R,6R)-6-[[2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Penicillin X
Property Insights of Penicillin X
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penicillin X. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Penicillin X. Following Lipinski's Rule of Five, Penicillin X has 3 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 X?
The CAS number of Penicillin X is 525-91-7.
What is the molecular formula of Penicillin X?
The molecular formula of Penicillin X is C16H18N2O5S.
What is the molecular weight of Penicillin X?
The molecular weight of Penicillin X is 350.09 g/mol.
Where can I buy Penicillin X?
You can request a quote for Penicillin X directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penicillin X?
Yes, KEHONG BIO provides custom synthesis services for Penicillin X and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.