A0852/0039914
TL;DR: A0852/0039914 (CAS 295345-21-0) is a chemical compound with molecular formula C20H13F3N2OS2 and molecular weight 418.04 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]-(4-methylphenyl)methanone
Also Known As: A0852/0039914, Thieno[2,3-b]pyridin-3-amine, 4-trifluoromethyl-2-(4-methylbenzoyl)-6-(2-thienyl)-, (3-amino-6-(thiophen-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl)(p-tolyl)methanone, [3-Amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](4-methylphenyl)methanone, [3-Amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](4-methylphenyl)methanone #
| Molecular Formula | C20H13F3N2OS2 |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.04214 |
| Heavy Atoms | 28 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 295345-21-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=CS4)N |
| InChIKey | ZJJBGVOUGLRRET-UHFFFAOYSA-N |
Product Overview
A0852/0039914 (CAS 295345-21-0), with molecular formula C20H13F3N2OS2 and molecular weight 418.04 g/mol. IUPAC: [3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of A0852/0039914
Property Insights of A0852/0039914
The XLogP value of 6.4 indicates that A0852/0039914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A0852/0039914. Following Lipinski's Rule of Five, A0852/0039914 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0852/0039914?
The CAS number of A0852/0039914 is 295345-21-0.
What is the molecular formula of A0852/0039914?
The molecular formula of A0852/0039914 is C20H13F3N2OS2.
What is the molecular weight of A0852/0039914?
The molecular weight of A0852/0039914 is 418.04 g/mol.
Where can I buy A0852/0039914?
You can request a quote for A0852/0039914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0852/0039914?
Yes, KEHONG BIO provides custom synthesis services for A0852/0039914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.