RefChem:327327
TL;DR: RefChem:327327 (CAS 88351-73-9) is a chemical compound with molecular formula C23H19N3O3S2 and molecular weight 449.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate
Also Known As: Benzoic acid, 4-((4-(((2-thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)-, methyl ester, 4-((4-(((2-Thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)benzoic acid methyl ester, Methyl 4-(3-{[(2-sulfanylidene-1,3-benzothiazol-3(2H)-yl)methyl]amino}benzamido)benzoate, methyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate, BRN 4600110
| Molecular Formula | C23H19N3O3S2 |
|---|---|
| Molecular Weight | 449.09 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.0868 |
| Heavy Atoms | 31 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 88351-73-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NCN3C4=CC=CC=C4SC3=S |
| InChIKey | PLUHRVFDQXXMGN-UHFFFAOYSA-N |
Product Overview
RefChem:327327 (CAS 88351-73-9), with molecular formula C23H19N3O3S2 and molecular weight 449.09 g/mol. IUPAC: methyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate.
Chemical Property Profile of RefChem:327327
Property Insights of RefChem:327327
The XLogP value of 4.9 indicates that RefChem:327327 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327327. Following Lipinski's Rule of Five, RefChem:327327 has 2 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 RefChem:327327?
The CAS number of RefChem:327327 is 88351-73-9.
What is the molecular formula of RefChem:327327?
The molecular formula of RefChem:327327 is C23H19N3O3S2.
What is the molecular weight of RefChem:327327?
The molecular weight of RefChem:327327 is 449.09 g/mol.
Where can I buy RefChem:327327?
You can request a quote for RefChem:327327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327327?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.