A3585/0152124
TL;DR: A3585/0152124 (CAS 696623-53-7) is a chemical compound with molecular formula C14H12Cl2N4O5 and molecular weight 386.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-2-nitroimidazol-1-yl)ethyl N-(2,4-dichlorobenzoyl)carbamate
Also Known As: A3585/0152124, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl (2,4-dichlorobenzoyl)carbamate, 2-(5-methyl-2-nitroimidazol-1-yl)ethyl N-(2,4-dichlorobenzoyl)carbamate, 2-(5-methyl-2-nitro-1H-imidazol-1-yl)ethyl [(2,4-dichlorophenyl)carbonyl]carbamate, 2-(5-METHYL-2-NITRO-1H-IMIDAZOL-1-YL)ETHYL N-(2,4-DICHLOROBENZOYL)CARBAMATE
| Molecular Formula | C14H12Cl2N4O5 |
|---|---|
| Molecular Weight | 386.02 g/mol |
| LogP | 2.97312 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.01846 |
| Heavy Atoms | 25 |
| Complexity | 836.62476 |
Chemical Identifiers
| CAS Number | 696623-53-7 |
|---|---|
| SMILES | CC1=CN=C(N1CCOC(=O)NC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
Product Overview
A3585/0152124 (CAS 696623-53-7), with molecular formula C14H12Cl2N4O5 and molecular weight 386.02 g/mol. IUPAC: 2-(5-methyl-2-nitroimidazol-1-yl)ethyl N-(2,4-dichlorobenzoyl)carbamate.
Chemical Property Profile of A3585/0152124
Property Insights of A3585/0152124
The XLogP value of 2.97312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3585/0152124. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for A3585/0152124. Following Lipinski's Rule of Five, A3585/0152124 has 1 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 A3585/0152124?
The CAS number of A3585/0152124 is 696623-53-7.
What is the molecular formula of A3585/0152124?
The molecular formula of A3585/0152124 is C14H12Cl2N4O5.
What is the molecular weight of A3585/0152124?
The molecular weight of A3585/0152124 is 386.02 g/mol.
Where can I buy A3585/0152124?
You can request a quote for A3585/0152124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3585/0152124?
Yes, KEHONG BIO provides custom synthesis services for A3585/0152124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.