Homophenoxymethylpenicillin
TL;DR: Homophenoxymethylpenicillin (CAS 1752-26-7) 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.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(3-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Homophenoxymethylpenicillin, phenoxymethyl penicillinic acid, KST-1A2101, J1.605.429A, (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(3-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C17H20N2O5S |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.10928 |
| Heavy Atoms | 25 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 1752-26-7 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCOC3=CC=CC=C3)C(=O)O)C |
| InChIKey | VYNSJZIBTBGKAJ-VNHYZAJKSA-N |
Product Overview
Homophenoxymethylpenicillin (CAS 1752-26-7), with molecular formula C17H20N2O5S and molecular weight 364.11 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(3-phenoxypropanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Homophenoxymethylpenicillin
Property Insights of Homophenoxymethylpenicillin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homophenoxymethylpenicillin. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Homophenoxymethylpenicillin. Following Lipinski's Rule of Five, Homophenoxymethylpenicillin 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 Homophenoxymethylpenicillin?
The CAS number of Homophenoxymethylpenicillin is 1752-26-7.
What is the molecular formula of Homophenoxymethylpenicillin?
The molecular formula of Homophenoxymethylpenicillin is C17H20N2O5S.
What is the molecular weight of Homophenoxymethylpenicillin?
The molecular weight of Homophenoxymethylpenicillin is 364.11 g/mol.
Where can I buy Homophenoxymethylpenicillin?
You can request a quote for Homophenoxymethylpenicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homophenoxymethylpenicillin?
Yes, KEHONG BIO provides custom synthesis services for Homophenoxymethylpenicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.