A3025/0127569
TL;DR: A3025/0127569 (CAS 488717-01-7) is a chemical compound with molecular formula C22H19F6N3O3S and molecular weight 519.11 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-(3-phenylpropanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate
Also Known As: A3025/0127569, ethyl 2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate, ethyl 2-((1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanamido)propan-2-yl)amino)benzo[d]thiazole-6-carboxylate, ethyl 2-({1,1,1,3,3,3-hexafluoro-2-[(3-phenylpropanoyl)amino]propan-2-yl}amino)-1,3-benzothiazole-6-carboxylate, ethyl 2-{[2,2,2-trifluoro-1-[(3-phenylpropanoyl)amino]-1-(trifluoromethyl)ethyl]amino}-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C22H19F6N3O3S |
|---|---|
| Molecular Weight | 519.11 g/mol |
| LogP | 5.4548 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.1051 |
| Heavy Atoms | 35 |
| Complexity | 1180.6046 |
Chemical Identifiers
| CAS Number | 488717-01-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3 |
Product Overview
A3025/0127569 (CAS 488717-01-7), with molecular formula C22H19F6N3O3S and molecular weight 519.11 g/mol. IUPAC: ethyl 2-[[1,1,1,3,3,3-hexafluoro-2-(3-phenylpropanoylamino)propan-2-yl]amino]-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of A3025/0127569
Property Insights of A3025/0127569
The XLogP value of 5.4548 indicates that A3025/0127569 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for A3025/0127569. Following Lipinski's Rule of Five, A3025/0127569 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 A3025/0127569?
The CAS number of A3025/0127569 is 488717-01-7.
What is the molecular formula of A3025/0127569?
The molecular formula of A3025/0127569 is C22H19F6N3O3S.
What is the molecular weight of A3025/0127569?
The molecular weight of A3025/0127569 is 519.11 g/mol.
Where can I buy A3025/0127569?
You can request a quote for A3025/0127569 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3025/0127569?
Yes, KEHONG BIO provides custom synthesis services for A3025/0127569 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.