ChemDiv1_028340
TL;DR: ChemDiv1_028340 (CAS 447409-84-9) is a chemical compound with molecular formula C21H19ClF3N3O3S and molecular weight 485.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate
Also Known As: ChemDiv1_028340, MixCom6_000532, A2616/0111243, methyl 2-(2-chlorobenzamido)-2-((3-cyano-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3,3,3-trifluoropropanoate, methyl 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate
| Molecular Formula | C21H19ClF3N3O3S |
|---|---|
| Molecular Weight | 485.08 g/mol |
| LogP | 4.67148 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.07877 |
| Heavy Atoms | 32 |
| Complexity | 1096.1797 |
Chemical Identifiers
| CAS Number | 447409-84-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(C(=O)OC)(C(F)(F)F)NC(=O)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_028340 (CAS 447409-84-9), with molecular formula C21H19ClF3N3O3S and molecular weight 485.08 g/mol. IUPAC: methyl 2-[(2-chlorobenzoyl)amino]-2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of ChemDiv1_028340
Property Insights of ChemDiv1_028340
The XLogP value of 4.67148 indicates that ChemDiv1_028340 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028340. Following Lipinski's Rule of Five, ChemDiv1_028340 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028340?
The CAS number of ChemDiv1_028340 is 447409-84-9.
What is the molecular formula of ChemDiv1_028340?
The molecular formula of ChemDiv1_028340 is C21H19ClF3N3O3S.
What is the molecular weight of ChemDiv1_028340?
The molecular weight of ChemDiv1_028340 is 485.08 g/mol.
Where can I buy ChemDiv1_028340?
You can request a quote for ChemDiv1_028340 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028340?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028340 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.