EINECS 255-494-2
TL;DR: EINECS 255-494-2 (CAS 41680-50-6) is a chemical compound with molecular formula C18H14ClN3O4S and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonic acid
Also Known As: EINECS 255-494-2, 1-(2-Chloroanilino)-9-hydroxy-2-methyl-1H-naphth(1,2-d)imidazole-7-sulphonic acid, 1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonic acid, 1-(2-Chloroanilino)-9-hydroxy-2-methyl-1H-naphth[1,2-d]imidazole-7-sulfonic acid, 1-(2-chloroanilino)-9-hydroxy-2-methyl-1H-naphth[1,2-d]imidazole-7-sulphonic acid
| Molecular Formula | C18H14ClN3O4S |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 3.97882 |
| Topological Polar Surface Area | 104.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.03937 |
| Heavy Atoms | 27 |
| Complexity | 1315.4337 |
Chemical Identifiers
| CAS Number | 41680-50-6 |
|---|---|
| SMILES | CC1=NC2=C(N1NC3=CC=CC=C3Cl)C4=C(C=C(C=C4C=C2)S(=O)(=O)O)O |
Product Overview
EINECS 255-494-2 (CAS 41680-50-6), with molecular formula C18H14ClN3O4S and molecular weight 403.04 g/mol. IUPAC: 1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonic acid.
Chemical Property Profile of EINECS 255-494-2
Property Insights of EINECS 255-494-2
The XLogP value of 3.97882 indicates that EINECS 255-494-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.45 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 255-494-2. Following Lipinski's Rule of Five, EINECS 255-494-2 has 3 hydrogen bond donor(s) and 5 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 EINECS 255-494-2?
The CAS number of EINECS 255-494-2 is 41680-50-6.
What is the molecular formula of EINECS 255-494-2?
The molecular formula of EINECS 255-494-2 is C18H14ClN3O4S.
What is the molecular weight of EINECS 255-494-2?
The molecular weight of EINECS 255-494-2 is 403.04 g/mol.
Where can I buy EINECS 255-494-2?
You can request a quote for EINECS 255-494-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 255-494-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 255-494-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.