9-Deoxyclavulanic acid
TL;DR: 9-Deoxyclavulanic acid (CAS 69779-62-0) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 9-Deoxyclavulanic acid, 9-Deocla, (3Z)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-ethylidene-7-oxo-, (2R-(2alpha,3Z,5alpha))-, RefChem:107856
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | -0.068 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 309.2659 |
Chemical Identifiers
| CAS Number | 69779-62-0 |
|---|---|
| SMILES | C/C=C\1/C(N2C(O1)CC2=O)C(=O)O |
Product Overview
9-Deoxyclavulanic acid (CAS 69779-62-0), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: (3Z)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 9-Deoxyclavulanic acid
Property Insights of 9-Deoxyclavulanic acid
The XLogP value of -0.068 indicates that 9-Deoxyclavulanic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Deoxyclavulanic acid. Following Lipinski's Rule of Five, 9-Deoxyclavulanic acid has 1 hydrogen bond donor(s) and 3 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 9-Deoxyclavulanic acid?
The CAS number of 9-Deoxyclavulanic acid is 69779-62-0.
What is the molecular formula of 9-Deoxyclavulanic acid?
The molecular formula of 9-Deoxyclavulanic acid is C8H9NO4.
What is the molecular weight of 9-Deoxyclavulanic acid?
The molecular weight of 9-Deoxyclavulanic acid is 183.05 g/mol.
Where can I buy 9-Deoxyclavulanic acid?
You can request a quote for 9-Deoxyclavulanic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Deoxyclavulanic acid?
Yes, KEHONG BIO provides custom synthesis services for 9-Deoxyclavulanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.