Isopropicillin
TL;DR: Isopropicillin (CAS 4780-24-9) is a chemical compound with molecular formula C18H22N2O5S and molecular weight 378.12 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-methyl-2-phenoxypropanoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Isopropicillin, isopropicilina, isopropicilline, isopropicillina, Isoprocillin
| Molecular Formula | C18H22N2O5S |
|---|---|
| Molecular Weight | 378.12 g/mol |
| LogP | 1.4757 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.12494 |
| Heavy Atoms | 26 |
| Complexity | 749.2082 |
Chemical Identifiers
| CAS Number | 4780-24-9 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C)(C)OC3=CC=CC=C3)C(=O)O)C |
Product Overview
Isopropicillin (CAS 4780-24-9), with molecular formula C18H22N2O5S and molecular weight 378.12 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-6-[(2-methyl-2-phenoxypropanoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Isopropicillin
Property Insights of Isopropicillin
The XLogP value of 1.4757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropicillin. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropicillin. Following Lipinski's Rule of Five, Isopropicillin has 2 hydrogen bond donor(s) and 5 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 Isopropicillin?
The CAS number of Isopropicillin is 4780-24-9.
What is the molecular formula of Isopropicillin?
The molecular formula of Isopropicillin is C18H22N2O5S.
What is the molecular weight of Isopropicillin?
The molecular weight of Isopropicillin is 378.12 g/mol.
Where can I buy Isopropicillin?
You can request a quote for Isopropicillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropicillin?
Yes, KEHONG BIO provides custom synthesis services for Isopropicillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.