9H-926
TL;DR: 9H-926 (CAS 339110-76-8) is a chemical compound with molecular formula C21H12BrCl2F3N2S and molecular weight 529.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole
Also Known As: 9H-926, 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indole, 3-bromo-2-{[(4-chlorophenyl)sulfanyl]methyl}-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indole, 3-bromo-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(4-chlorophenyl)sulfanyl]methyl}-1H-indole
| Molecular Formula | C21H12BrCl2F3N2S |
|---|---|
| Molecular Weight | 529.92 g/mol |
| LogP | 8.4059 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 529.92334 |
| Heavy Atoms | 30 |
| Complexity | 1223.6243 |
Chemical Identifiers
| CAS Number | 339110-76-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2C3=C(C=C(C=N3)C(F)(F)F)Cl)CSC4=CC=C(C=C4)Cl)Br |
Product Overview
9H-926 (CAS 339110-76-8), with molecular formula C21H12BrCl2F3N2S and molecular weight 529.92 g/mol. IUPAC: 3-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole.
Chemical Property Profile of 9H-926
Property Insights of 9H-926
The XLogP value of 8.4059 indicates that 9H-926 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 9H-926 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-926 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-926?
The CAS number of 9H-926 is 339110-76-8.
What is the molecular formula of 9H-926?
The molecular formula of 9H-926 is C21H12BrCl2F3N2S.
What is the molecular weight of 9H-926?
The molecular weight of 9H-926 is 529.92 g/mol.
Where can I buy 9H-926?
You can request a quote for 9H-926 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-926?
Yes, KEHONG BIO provides custom synthesis services for 9H-926 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.