ChemDiv1_009736
TL;DR: ChemDiv1_009736 (CAS 400863-57-2) is a chemical compound with molecular formula C17H14F3N3O2S2 and molecular weight 413.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
Also Known As: ChemDiv1_009736, BAS 03320652, AB00115604-01, 2-(4-morpholinylcarbonyl)-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine, 2-(4-MORPHOLINYLCARBONYL)-6-(2-THIENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDIN-3-YLAMINE
| Molecular Formula | C17H14F3N3O2S2 |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | 4.0982 |
| Topological Polar Surface Area | 68.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.04794 |
| Heavy Atoms | 27 |
| Complexity | 993.18036 |
Chemical Identifiers
| CAS Number | 400863-57-2 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N |
Product Overview
ChemDiv1_009736 (CAS 400863-57-2), with molecular formula C17H14F3N3O2S2 and molecular weight 413.05 g/mol. IUPAC: [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.
Chemical Property Profile of ChemDiv1_009736
Property Insights of ChemDiv1_009736
The XLogP value of 4.0982 indicates that ChemDiv1_009736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009736. Following Lipinski's Rule of Five, ChemDiv1_009736 has 1 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_009736?
The CAS number of ChemDiv1_009736 is 400863-57-2.
What is the molecular formula of ChemDiv1_009736?
The molecular formula of ChemDiv1_009736 is C17H14F3N3O2S2.
What is the molecular weight of ChemDiv1_009736?
The molecular weight of ChemDiv1_009736 is 413.05 g/mol.
Where can I buy ChemDiv1_009736?
You can request a quote for ChemDiv1_009736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009736?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.