AE-641/14413098
TL;DR: AE-641/14413098 (CAS 307510-84-5) is a chemical compound with molecular formula C25H23N5O5S2 and molecular weight 537.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
Also Known As: AE-641/14413098, F0289-0381, ETHYL 2-{4-[BIS(2-CYANOETHYL)SULFAMOYL]BENZAMIDO}-4-PHENYL-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 2-(4-(N,N-bis(2-cyanoethyl)sulfamoyl)benzamido)-4-phenylthiazole-5-carboxylate, ethyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H23N5O5S2 |
|---|---|
| Molecular Weight | 537.11 g/mol |
| LogP | 4.05716 |
| Topological Polar Surface Area | 153.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 537.1141 |
| Heavy Atoms | 37 |
| Complexity | 1421.3182 |
Chemical Identifiers
| CAS Number | 307510-84-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(CCC#N)CCC#N)C3=CC=CC=C3 |
Product Overview
AE-641/14413098 (CAS 307510-84-5), with molecular formula C25H23N5O5S2 and molecular weight 537.11 g/mol. IUPAC: ethyl 2-[[4-[bis(2-cyanoethyl)sulfamoyl]benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AE-641/14413098
Property Insights of AE-641/14413098
The XLogP value of 4.05716 indicates that AE-641/14413098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.25 Ų indicates high polarity, suggesting AE-641/14413098 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AE-641/14413098 has 1 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 AE-641/14413098?
The CAS number of AE-641/14413098 is 307510-84-5.
What is the molecular formula of AE-641/14413098?
The molecular formula of AE-641/14413098 is C25H23N5O5S2.
What is the molecular weight of AE-641/14413098?
The molecular weight of AE-641/14413098 is 537.11 g/mol.
Where can I buy AE-641/14413098?
You can request a quote for AE-641/14413098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/14413098?
Yes, KEHONG BIO provides custom synthesis services for AE-641/14413098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.