RefChem:327246
TL;DR: RefChem:327246 (CAS 88351-75-1) is a chemical compound with molecular formula C41H38N6O6S and molecular weight 742.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-[[3-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]anilino]methyl]-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoyl]amino]benzoate
Also Known As: Benzoic acid, 4,4'-((2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino-4,1-phenylenecarbonylimino))bis-, diethyl ester, 1,3-Bis(4-(p-carbethoxyphenylcarbamoyl)phenylaminomethyl)benzimidazolin-2-thione, Diethyl 4,4'-[(2-sulfanylidene-1H-1,3-benzimidazole-1,3(2H)-diyl)bis(methyleneazanediyl-4,1-phenylenecarbonylazanediyl)]dibenzoate, ethyl 4-[[4-[[3-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]anilino]methyl]-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoyl]amino]benzoate, BRN 4639956
| Molecular Formula | C41H38N6O6S |
|---|---|
| Molecular Weight | 742.26 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 742.2573 |
| Heavy Atoms | 54 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 88351-75-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NCN3C4=CC=CC=C4N(C3=S)CNC5=CC=C(C=C5)C(=O)NC6=CC=C(C=C6)C(=O)OCC |
| InChIKey | YYWBBLOLOFZUMU-UHFFFAOYSA-N |
Product Overview
RefChem:327246 (CAS 88351-75-1), with molecular formula C41H38N6O6S and molecular weight 742.26 g/mol. IUPAC: ethyl 4-[[4-[[3-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]anilino]methyl]-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoyl]amino]benzoate.
Chemical Property Profile of RefChem:327246
Property Insights of RefChem:327246
The XLogP value of 7.2 indicates that RefChem:327246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting RefChem:327246 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:327246 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327246?
The CAS number of RefChem:327246 is 88351-75-1.
What is the molecular formula of RefChem:327246?
The molecular formula of RefChem:327246 is C41H38N6O6S.
What is the molecular weight of RefChem:327246?
The molecular weight of RefChem:327246 is 742.26 g/mol.
Where can I buy RefChem:327246?
You can request a quote for RefChem:327246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327246?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.