AF-399/40910251
TL;DR: AF-399/40910251 (CAS 367908-29-0) is a chemical compound with molecular formula C22H21F3N2O4S2 and molecular weight 498.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/40910251, ethyl 2-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, F1065-0763, ethyl 2-(2-(3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H21F3N2O4S2 |
|---|---|
| Molecular Weight | 498.09 g/mol |
| LogP | 5.264 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.08948 |
| Heavy Atoms | 33 |
| Complexity | 1113.791 |
Chemical Identifiers
| CAS Number | 367908-29-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F |
Product Overview
AF-399/40910251 (CAS 367908-29-0), with molecular formula C22H21F3N2O4S2 and molecular weight 498.09 g/mol. IUPAC: ethyl 2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/40910251
Property Insights of AF-399/40910251
The XLogP value of 5.264 indicates that AF-399/40910251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40910251. Following Lipinski's Rule of Five, AF-399/40910251 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 AF-399/40910251?
The CAS number of AF-399/40910251 is 367908-29-0.
What is the molecular formula of AF-399/40910251?
The molecular formula of AF-399/40910251 is C22H21F3N2O4S2.
What is the molecular weight of AF-399/40910251?
The molecular weight of AF-399/40910251 is 498.09 g/mol.
Where can I buy AF-399/40910251?
You can request a quote for AF-399/40910251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40910251?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40910251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.