RefChem:327248
TL;DR: RefChem:327248 (CAS 91067-24-2) is a chemical compound with molecular formula C23H19ClN4O4S and molecular weight 482.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(4-carboxyanilino)methyl]-5-chloro-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoic acid
Also Known As: Benzoic acid, 4,4'-((5-chloro-2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino)bis-, 4,4'-((5-Chloro-2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino)bisbenzoic acid), BENZOIC ACID, 4,4'-((5-CHLORO-2-THIOXO-1H-BENZIMIDAZOLE-1,3(2H)-DIYL)BIS(METHYLE, 4,4'-[(5-Chloro-2-sulfanylidene-1H-1,3-benzimidazole-1,3(2H)-diyl)bis(methyleneazanediyl)]dibenzoic acid, 4-[[3-[(4-carboxyanilino)methyl]-5-chloro-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoic acid
| Molecular Formula | C23H19ClN4O4S |
|---|---|
| Molecular Weight | 482.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.08154 |
| Heavy Atoms | 33 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 91067-24-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NCN2C3=C(C=C(C=C3)Cl)N(C2=S)CNC4=CC=C(C=C4)C(=O)O |
| InChIKey | YOXUTDVGGRHXIK-UHFFFAOYSA-N |
Product Overview
RefChem:327248 (CAS 91067-24-2), with molecular formula C23H19ClN4O4S and molecular weight 482.08 g/mol. IUPAC: 4-[[3-[(4-carboxyanilino)methyl]-5-chloro-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoic acid.
Chemical Property Profile of RefChem:327248
Property Insights of RefChem:327248
The XLogP value of 4.8 indicates that RefChem:327248 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327248. Following Lipinski's Rule of Five, RefChem:327248 has 4 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 RefChem:327248?
The CAS number of RefChem:327248 is 91067-24-2.
What is the molecular formula of RefChem:327248?
The molecular formula of RefChem:327248 is C23H19ClN4O4S.
What is the molecular weight of RefChem:327248?
The molecular weight of RefChem:327248 is 482.08 g/mol.
Where can I buy RefChem:327248?
You can request a quote for RefChem:327248 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327248?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327248 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.