ASN 12913913
TL;DR: ASN 12913913 (CAS 878722-32-8) is a chemical compound with molecular formula C16H11Cl2N3O6 and molecular weight 411.00 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 6,8-dichloro-2-oxochromene-3-carboxylate
Also Known As: ASN 12913913, VU0509852-1, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 6,8-dichloro-2-oxo-2H-chromene-3-carboxylate, 2-(2-methyl-5-nitroimidazolyl)ethyl 6,8-dichloro-2-oxochromene-3-carboxylate, F3127-0106
| Molecular Formula | C16H11Cl2N3O6 |
|---|---|
| Molecular Weight | 411.00 g/mol |
| LogP | 3.36992 |
| Topological Polar Surface Area | 117.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0025 |
| Heavy Atoms | 27 |
| Complexity | 1121.2765 |
Chemical Identifiers
| CAS Number | 878722-32-8 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl)[N+](=O)[O-] |
Product Overview
ASN 12913913 (CAS 878722-32-8), with molecular formula C16H11Cl2N3O6 and molecular weight 411.00 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 6,8-dichloro-2-oxochromene-3-carboxylate.
Chemical Property Profile of ASN 12913913
Property Insights of ASN 12913913
The XLogP value of 3.36992 indicates that ASN 12913913 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 12913913. Following Lipinski's Rule of Five, ASN 12913913 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 ASN 12913913?
The CAS number of ASN 12913913 is 878722-32-8.
What is the molecular formula of ASN 12913913?
The molecular formula of ASN 12913913 is C16H11Cl2N3O6.
What is the molecular weight of ASN 12913913?
The molecular weight of ASN 12913913 is 411.00 g/mol.
Where can I buy ASN 12913913?
You can request a quote for ASN 12913913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 12913913?
Yes, KEHONG BIO provides custom synthesis services for ASN 12913913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.