RefChem:327326
TL;DR: RefChem:327326 (CAS 88351-74-0) is a chemical compound with molecular formula C24H21N3O3S2 and molecular weight 463.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 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)-, ethyl ester, 4-((4-(((2-Thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)benzoic acid ethyl ester, Ethyl 4-(3-{[(2-sulfanylidene-1,3-benzothiazol-3(2H)-yl)methyl]amino}benzamido)benzoate, ethyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate, BRN 4602007
| Molecular Formula | C24H21N3O3S2 |
|---|---|
| Molecular Weight | 463.10 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.10245 |
| Heavy Atoms | 32 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 88351-74-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NCN3C4=CC=CC=C4SC3=S |
| InChIKey | FACSESZSPKMHEI-UHFFFAOYSA-N |
Product Overview
RefChem:327326 (CAS 88351-74-0), with molecular formula C24H21N3O3S2 and molecular weight 463.10 g/mol. IUPAC: ethyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate.
Chemical Property Profile of RefChem:327326
Property Insights of RefChem:327326
The XLogP value of 5.3 indicates that RefChem:327326 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:327326. Following Lipinski's Rule of Five, RefChem:327326 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327326?
The CAS number of RefChem:327326 is 88351-74-0.
What is the molecular formula of RefChem:327326?
The molecular formula of RefChem:327326 is C24H21N3O3S2.
What is the molecular weight of RefChem:327326?
The molecular weight of RefChem:327326 is 463.10 g/mol.
Where can I buy RefChem:327326?
You can request a quote for RefChem:327326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327326?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.