RefChem:399864
TL;DR: RefChem:399864 (CAS 618074-82-1) is a chemical compound with molecular formula C23H16BrF3N2O2S and molecular weight 520.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3-bromo-4-methoxyphenyl)methanone
Also Known As: SDCCGSBI-0659495.P001, AB00674347-01, F1423-1955, [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](3-bromo-4-methoxyphenyl)methanone, 2-(3-BROMO-4-METHOXYBENZOYL)-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDIN-3-AMINE
| Molecular Formula | C23H16BrF3N2O2S |
|---|---|
| Molecular Weight | 520.01 g/mol |
| LogP | 6.87482 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.0068 |
| Heavy Atoms | 32 |
| Complexity | 1348.3533 |
Chemical Identifiers
| CAS Number | 618074-82-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=C(S3)C(=O)C4=CC(=C(C=C4)OC)Br)N |
Product Overview
RefChem:399864 (CAS 618074-82-1), with molecular formula C23H16BrF3N2O2S and molecular weight 520.01 g/mol. IUPAC: [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3-bromo-4-methoxyphenyl)methanone.
Chemical Property Profile of RefChem:399864
Property Insights of RefChem:399864
The XLogP value of 6.87482 indicates that RefChem:399864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:399864. Following Lipinski's Rule of Five, RefChem:399864 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:399864?
The CAS number of RefChem:399864 is 618074-82-1.
What is the molecular formula of RefChem:399864?
The molecular formula of RefChem:399864 is C23H16BrF3N2O2S.
What is the molecular weight of RefChem:399864?
The molecular weight of RefChem:399864 is 520.01 g/mol.
Where can I buy RefChem:399864?
You can request a quote for RefChem:399864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:399864?
Yes, KEHONG BIO provides custom synthesis services for RefChem:399864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.