o-Chlorophenoxymethyl penicillin
TL;DR: o-Chlorophenoxymethyl penicillin (CAS 56807-84-2) is a chemical compound with molecular formula C16H17ClN2O5S and molecular weight 384.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-6-[[2-(2-chlorophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: o-Chlorophenoxymethyl penicillin, ortho-Chlorophenoxymethyl penicillin, (2R,5R,6S)-6-((2-(2-Chlorophenoxy)acetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-Pyridinecarboxamide, N-((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)-, (2S,5R,6R)-6-[[2-(2-chlorophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C16H17ClN2O5S |
|---|---|
| Molecular Weight | 384.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.05466 |
| Heavy Atoms | 25 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 56807-84-2 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3Cl)C(=O)O)C |
| InChIKey | QNHOZJVQUHBEBP-MBNYWOFBSA-N |
Product Overview
o-Chlorophenoxymethyl penicillin (CAS 56807-84-2), with molecular formula C16H17ClN2O5S and molecular weight 384.05 g/mol. IUPAC: (2S,5R,6R)-6-[[2-(2-chlorophenoxy)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of o-Chlorophenoxymethyl penicillin
Property Insights of o-Chlorophenoxymethyl penicillin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Chlorophenoxymethyl penicillin. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Chlorophenoxymethyl penicillin. Following Lipinski's Rule of Five, o-Chlorophenoxymethyl penicillin has 2 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 o-Chlorophenoxymethyl penicillin?
The CAS number of o-Chlorophenoxymethyl penicillin is 56807-84-2.
What is the molecular formula of o-Chlorophenoxymethyl penicillin?
The molecular formula of o-Chlorophenoxymethyl penicillin is C16H17ClN2O5S.
What is the molecular weight of o-Chlorophenoxymethyl penicillin?
The molecular weight of o-Chlorophenoxymethyl penicillin is 384.05 g/mol.
Where can I buy o-Chlorophenoxymethyl penicillin?
You can request a quote for o-Chlorophenoxymethyl penicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Chlorophenoxymethyl penicillin?
Yes, KEHONG BIO provides custom synthesis services for o-Chlorophenoxymethyl penicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.