1H-001
TL;DR: 1H-001 (CAS 321430-58-4) is a chemical compound with molecular formula C15H11ClF3N3OS2 and molecular weight 405.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbamodithioate
Also Known As: 1H-001, 2-oxo-2-phenylethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-hydrazinecarbodithioate, phenacyl N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]carbamodithioate, 2-[({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}carbamothioyl)sulfanyl]-1-phenylethan-1-one
| Molecular Formula | C15H11ClF3N3OS2 |
|---|---|
| Molecular Weight | 405.00 g/mol |
| LogP | 4.5713 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.9984 |
| Heavy Atoms | 25 |
| Complexity | 772.36206 |
Chemical Identifiers
| CAS Number | 321430-58-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
1H-001 (CAS 321430-58-4), with molecular formula C15H11ClF3N3OS2 and molecular weight 405.00 g/mol. IUPAC: phenacyl N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbamodithioate.
Chemical Property Profile of 1H-001
Property Insights of 1H-001
The XLogP value of 4.5713 indicates that 1H-001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 1H-001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-001 has 2 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-001?
The CAS number of 1H-001 is 321430-58-4.
What is the molecular formula of 1H-001?
The molecular formula of 1H-001 is C15H11ClF3N3OS2.
What is the molecular weight of 1H-001?
The molecular weight of 1H-001 is 405.00 g/mol.
Where can I buy 1H-001?
You can request a quote for 1H-001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-001?
Yes, KEHONG BIO provides custom synthesis services for 1H-001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.