1-Hcobcc
TL;DR: 1-Hcobcc (CAS 125412-71-7) is a chemical compound with molecular formula C17H15ClN2O6 and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R,6R)-3-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Also Known As: 1-Hcobcc, 6-(1-Hydroxyethyl)-2-(5-chloro-2-oxobenzoxazolin-3-yl)-1-methyl-1-carbapen-2-em-3-carboxylic acid, (4R,5R,6R)-3-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (4R,5R,6R)-3-(5-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(5-chloro-2-oxo-3(2H)-benzoxazolyl)-6-(1-hydroxyethyl)-4-methyl-7-oxo-, (4R-(4alpha,5beta,6beta(R*)))-
| Molecular Formula | C17H15ClN2O6 |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.06186 |
| Heavy Atoms | 26 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 125412-71-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@@H](C(=O)N2C(=C1N3C4=C(C=CC(=C4)Cl)OC3=O)C(=O)O)[C@@H](C)O |
| InChIKey | OVMOMRDXSDRZKI-QBDJTPIZSA-N |
Product Overview
1-Hcobcc (CAS 125412-71-7), with molecular formula C17H15ClN2O6 and molecular weight 378.06 g/mol. IUPAC: (4R,5R,6R)-3-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
Chemical Property Profile of 1-Hcobcc
Property Insights of 1-Hcobcc
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hcobcc. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hcobcc. Following Lipinski's Rule of Five, 1-Hcobcc 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 1-Hcobcc?
The CAS number of 1-Hcobcc is 125412-71-7.
What is the molecular formula of 1-Hcobcc?
The molecular formula of 1-Hcobcc is C17H15ClN2O6.
What is the molecular weight of 1-Hcobcc?
The molecular weight of 1-Hcobcc is 378.06 g/mol.
Where can I buy 1-Hcobcc?
You can request a quote for 1-Hcobcc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hcobcc?
Yes, KEHONG BIO provides custom synthesis services for 1-Hcobcc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.