6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid
TL;DR: 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid (CAS 525-92-8) 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-6-[[2-(4-methylphenoxy)acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 6beta-(2-p-tolyloxy-acetylamino)-penicillanic acid, (2S,5R,6R)-3,3-dimethyl-6-[[2-(4-methylphenoxy)acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-Dimethyl-6-[2-(4-methylphenoxy)acetamido]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-Dimethyl-6-{[(4-methylphenoxy)acetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C17H20N2O5S |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.10928 |
| Heavy Atoms | 25 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 525-92-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O |
| InChIKey | PSHRTKHMFMNJFD-VNHYZAJKSA-N |
Product Overview
6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid (CAS 525-92-8), with molecular formula C17H20N2O5S and molecular weight 364.11 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-6-[[2-(4-methylphenoxy)acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid
Property Insights of 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid. Following Lipinski's Rule of Five, 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid 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 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid?
The CAS number of 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid is 525-92-8.
What is the molecular formula of 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid?
The molecular formula of 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid is C17H20N2O5S.
What is the molecular weight of 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid?
The molecular weight of 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid is 364.11 g/mol.
Where can I buy 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid?
You can request a quote for 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid?
Yes, KEHONG BIO provides custom synthesis services for 6beta-(2-p-Tolyloxy-acetylamino)-penicillanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.