A3025/0127584
TL;DR: A3025/0127584 (CAS 488088-68-2) is a chemical compound with molecular formula C21H17F6N3O4S and molecular weight 521.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[1,1,1,3,3,3-hexafluoro-2-[(2-methoxybenzoyl)amino]propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate
Also Known As: A3025/0127584, ethyl 2-[[1,1,1,3,3,3-hexafluoro-2-[(2-methoxybenzoyl)amino]propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate, ethyl 2-{[2,2,2-trifluoro-1-[(2-methoxybenzoyl)amino]-1-(trifluoromethyl)ethyl]amino}-1,3-benzothiazole-6-carboxylate, ethyl 2-((1,1,1,3,3,3-hexafluoro-2-(2-methoxybenzamido)propan-2-yl)amino)benzo[d]thiazole-6-carboxylate, ethyl 2-[(1,1,1,3,3,3-hexafluoro-2-{[(2-methoxyphenyl)carbonyl]amino}propan-2-yl)amino]-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C21H17F6N3O4S |
|---|---|
| Molecular Weight | 521.08 g/mol |
| LogP | 5.1444 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.0844 |
| Heavy Atoms | 35 |
| Complexity | 1227.7583 |
Chemical Identifiers
| CAS Number | 488088-68-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC=CC=C3OC |
Product Overview
A3025/0127584 (CAS 488088-68-2), with molecular formula C21H17F6N3O4S and molecular weight 521.08 g/mol. IUPAC: ethyl 2-[[1,1,1,3,3,3-hexafluoro-2-[(2-methoxybenzoyl)amino]propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of A3025/0127584
Property Insights of A3025/0127584
The XLogP value of 5.1444 indicates that A3025/0127584 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for A3025/0127584. Following Lipinski's Rule of Five, A3025/0127584 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3025/0127584?
The CAS number of A3025/0127584 is 488088-68-2.
What is the molecular formula of A3025/0127584?
The molecular formula of A3025/0127584 is C21H17F6N3O4S.
What is the molecular weight of A3025/0127584?
The molecular weight of A3025/0127584 is 521.08 g/mol.
Where can I buy A3025/0127584?
You can request a quote for A3025/0127584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3025/0127584?
Yes, KEHONG BIO provides custom synthesis services for A3025/0127584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.