A2238/0094236
TL;DR: A2238/0094236 (CAS 309731-50-8) is a chemical compound with molecular formula C17H20F6N2O3S and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(2-methylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2238/0094236, Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[2,2,2-trifluoro-1-trifluoromethyl-1-(2-methyl-1-oxopropylaminoethyl]amino-, methyl ester, methyl 2-((1,1,1,3,3,3-hexafluoro-2-isobutyramidopropan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Methyl 2-([2,2,2-trifluoro-1-(isobutyrylamino)-1-(trifluoromethyl)ethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate #, methyl 2-({1,1,1,3,3,3-hexafluoro-2-[(2-methylpropanoyl)amino]propan-2-yl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H20F6N2O3S |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1099 |
| Heavy Atoms | 29 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 309731-50-8 |
|---|---|
| SMILES | CC(C)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C2=C(S1)CCCC2)C(=O)OC |
| InChIKey | IUHBGLFKWCHFCQ-UHFFFAOYSA-N |
Product Overview
A2238/0094236 (CAS 309731-50-8), with molecular formula C17H20F6N2O3S and molecular weight 446.11 g/mol. IUPAC: methyl 2-[[1,1,1,3,3,3-hexafluoro-2-(2-methylpropanoylamino)propan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2238/0094236
Property Insights of A2238/0094236
The XLogP value of 6.1 indicates that A2238/0094236 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A2238/0094236. Following Lipinski's Rule of Five, A2238/0094236 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2238/0094236?
The CAS number of A2238/0094236 is 309731-50-8.
What is the molecular formula of A2238/0094236?
The molecular formula of A2238/0094236 is C17H20F6N2O3S.
What is the molecular weight of A2238/0094236?
The molecular weight of A2238/0094236 is 446.11 g/mol.
Where can I buy A2238/0094236?
You can request a quote for A2238/0094236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2238/0094236?
Yes, KEHONG BIO provides custom synthesis services for A2238/0094236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.