A2235/0094078
TL;DR: A2235/0094078 (CAS 309730-87-8) is a chemical compound with molecular formula C22H22ClF3N2O5S and molecular weight 518.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(3-chlorobenzoyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2235/0094078, METHYL 2-{[1-[(3-CHLOROBENZOYL)AMINO]-1-(ETHOXYCARBONYL)-2,2,2-TRIFLUOROETHYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, Benzothiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[1-(3-chlorobenzoylamino)-1-ethoxycarbonyl-2,2,2-trifluoroethylamino)-, methyl ester, methyl 2-((2-(3-chlorobenzamido)-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Methyl 2-([1-[(3-chlorobenzoyl)amino]-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate #
| Molecular Formula | C22H22ClF3N2O5S |
|---|---|
| Molecular Weight | 518.09 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.089 |
| Heavy Atoms | 34 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 309730-87-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C(=O)OC)NC(=O)C3=CC(=CC=C3)Cl |
| InChIKey | JRIWVHXDYWPAIV-UHFFFAOYSA-N |
Product Overview
A2235/0094078 (CAS 309730-87-8), with molecular formula C22H22ClF3N2O5S and molecular weight 518.09 g/mol. IUPAC: methyl 2-[[2-[(3-chlorobenzoyl)amino]-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2235/0094078
Property Insights of A2235/0094078
The XLogP value of 6.5 indicates that A2235/0094078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2235/0094078. Following Lipinski's Rule of Five, A2235/0094078 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2235/0094078?
The CAS number of A2235/0094078 is 309730-87-8.
What is the molecular formula of A2235/0094078?
The molecular formula of A2235/0094078 is C22H22ClF3N2O5S.
What is the molecular weight of A2235/0094078?
The molecular weight of A2235/0094078 is 518.09 g/mol.
Where can I buy A2235/0094078?
You can request a quote for A2235/0094078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2235/0094078?
Yes, KEHONG BIO provides custom synthesis services for A2235/0094078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.