BAS 12913914
TL;DR: BAS 12913914 (CAS 878722-36-2) is a chemical compound with molecular formula C16H12ClN3O6 and molecular weight 377.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 6-chloro-2-oxochromene-3-carboxylate
Also Known As: BAS 12913914, VU0509853-1, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6-chloro-2-oxo-2H-chromene-3-carboxylate, F3127-0107, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 6-chloro-2-oxochromene-3-carboxylate
| Molecular Formula | C16H12ClN3O6 |
|---|---|
| Molecular Weight | 377.04 g/mol |
| LogP | 2.71652 |
| Topological Polar Surface Area | 117.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.04147 |
| Heavy Atoms | 26 |
| Complexity | 1071.5226 |
Chemical Identifiers
| CAS Number | 878722-36-2 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O)[N+](=O)[O-] |
Product Overview
BAS 12913914 (CAS 878722-36-2), with molecular formula C16H12ClN3O6 and molecular weight 377.04 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 6-chloro-2-oxochromene-3-carboxylate.
Chemical Property Profile of BAS 12913914
Property Insights of BAS 12913914
The XLogP value of 2.71652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12913914. The TPSA of 117.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12913914. Following Lipinski's Rule of Five, BAS 12913914 has 0 hydrogen bond donor(s) and 7 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 BAS 12913914?
The CAS number of BAS 12913914 is 878722-36-2.
What is the molecular formula of BAS 12913914?
The molecular formula of BAS 12913914 is C16H12ClN3O6.
What is the molecular weight of BAS 12913914?
The molecular weight of BAS 12913914 is 377.04 g/mol.
Where can I buy BAS 12913914?
You can request a quote for BAS 12913914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12913914?
Yes, KEHONG BIO provides custom synthesis services for BAS 12913914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.