AE-641/14413110
TL;DR: AE-641/14413110 (CAS 307510-83-4) is a chemical compound with molecular formula C21H19N5O3S3 and molecular weight 485.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
Also Known As: AE-641/14413110, F0289-0166, 4-(N,N-bis(2-cyanoethyl)sulfamoyl)-N-(2-(methylthio)benzo[d]thiazol-6-yl)benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]benzamide, 4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
| Molecular Formula | C21H19N5O3S3 |
|---|---|
| Molecular Weight | 485.06 g/mol |
| LogP | 4.08856 |
| Topological Polar Surface Area | 126.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.065 |
| Heavy Atoms | 32 |
| Complexity | 1287.1841 |
Chemical Identifiers
| CAS Number | 307510-83-4 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
AE-641/14413110 (CAS 307510-83-4), with molecular formula C21H19N5O3S3 and molecular weight 485.06 g/mol. IUPAC: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide.
Chemical Property Profile of AE-641/14413110
Property Insights of AE-641/14413110
The XLogP value of 4.08856 indicates that AE-641/14413110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/14413110. Following Lipinski's Rule of Five, AE-641/14413110 has 1 hydrogen bond donor(s) and 8 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 AE-641/14413110?
The CAS number of AE-641/14413110 is 307510-83-4.
What is the molecular formula of AE-641/14413110?
The molecular formula of AE-641/14413110 is C21H19N5O3S3.
What is the molecular weight of AE-641/14413110?
The molecular weight of AE-641/14413110 is 485.06 g/mol.
Where can I buy AE-641/14413110?
You can request a quote for AE-641/14413110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/14413110?
Yes, KEHONG BIO provides custom synthesis services for AE-641/14413110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.