7K-535S
TL;DR: 7K-535S (CAS 339013-63-7) is a chemical compound with molecular formula C17H13BrCl2N2O3 and molecular weight 441.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-3-[(3,4-dichlorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate
Also Known As: 7K-535S, ethyl 6-bromo-3-(3,4-dichlorobenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate, ethyl 6-bromo-3-[(3,4-dichlorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate, ethyl 6-bromo-3-[(3,4-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate, ethyl6-bromo-3-[(3,4-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate
| Molecular Formula | C17H13BrCl2N2O3 |
|---|---|
| Molecular Weight | 441.95 g/mol |
| LogP | 4.9252 |
| Topological Polar Surface Area | 53.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.94867 |
| Heavy Atoms | 25 |
| Complexity | 1026.6403 |
Chemical Identifiers
| CAS Number | 339013-63-7 |
|---|---|
| SMILES | CCOC(=O)N1C2=C(C=CC(=C2)Br)N(C1=O)CC3=CC(=C(C=C3)Cl)Cl |
Product Overview
7K-535S (CAS 339013-63-7), with molecular formula C17H13BrCl2N2O3 and molecular weight 441.95 g/mol. IUPAC: ethyl 6-bromo-3-[(3,4-dichlorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate.
Chemical Property Profile of 7K-535S
Property Insights of 7K-535S
The XLogP value of 4.9252 indicates that 7K-535S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.23 Ų, 7K-535S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7K-535S has 0 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 7K-535S?
The CAS number of 7K-535S is 339013-63-7.
What is the molecular formula of 7K-535S?
The molecular formula of 7K-535S is C17H13BrCl2N2O3.
What is the molecular weight of 7K-535S?
The molecular weight of 7K-535S is 441.95 g/mol.
Where can I buy 7K-535S?
You can request a quote for 7K-535S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7K-535S?
Yes, KEHONG BIO provides custom synthesis services for 7K-535S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.