1H-007
TL;DR: 1H-007 (CAS 321430-62-0) is a chemical compound with molecular formula C14H6ClF3N4S and molecular weight 354.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
Also Known As: 1H-007, 2-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}sulfanyl)-3,5-pyridinedicarbonitrile, 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile, 2-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}sulfanyl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C14H6ClF3N4S |
|---|---|
| Molecular Weight | 354.00 g/mol |
| LogP | 4.18446 |
| Topological Polar Surface Area | 73.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.9954 |
| Heavy Atoms | 23 |
| Complexity | 824.2379 |
Chemical Identifiers
| CAS Number | 321430-62-0 |
|---|---|
| SMILES | C1=C(C=NC(=C1C#N)SCC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
1H-007 (CAS 321430-62-0), with molecular formula C14H6ClF3N4S and molecular weight 354.00 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylsulfanyl]pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 1H-007
Property Insights of 1H-007
The XLogP value of 4.18446 indicates that 1H-007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-007. Following Lipinski's Rule of Five, 1H-007 has 0 hydrogen bond donor(s) and 5 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 1H-007?
The CAS number of 1H-007 is 321430-62-0.
What is the molecular formula of 1H-007?
The molecular formula of 1H-007 is C14H6ClF3N4S.
What is the molecular weight of 1H-007?
The molecular weight of 1H-007 is 354.00 g/mol.
Where can I buy 1H-007?
You can request a quote for 1H-007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-007?
Yes, KEHONG BIO provides custom synthesis services for 1H-007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.