10H-002
TL;DR: 10H-002 (CAS 251310-64-2) is a chemical compound with molecular formula C18H13ClF3N3O2S and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-[(3-methoxyanilino)methylidene]-3-oxobutanenitrile
Also Known As: 10H-002, (2Z)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-[(3-methoxyanilino)methylidene]-3-oxobutanenitrile, (2Z)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-{[(3-methoxyphenyl)amino]methylidene}-3-oxobutanenitrile, 2-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)-3-(3-methoxyanilino)acrylonitrile
| Molecular Formula | C18H13ClF3N3O2S |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | 4.94318 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.0369 |
| Heavy Atoms | 28 |
| Complexity | 942.40356 |
Chemical Identifiers
| CAS Number | 251310-64-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N/C=C(/C#N)\C(=O)CSC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
10H-002 (CAS 251310-64-2), with molecular formula C18H13ClF3N3O2S and molecular weight 427.04 g/mol. IUPAC: (2Z)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-[(3-methoxyanilino)methylidene]-3-oxobutanenitrile.
Chemical Property Profile of 10H-002
Property Insights of 10H-002
The XLogP value of 4.94318 indicates that 10H-002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 10H-002. Following Lipinski's Rule of Five, 10H-002 has 1 hydrogen bond donor(s) and 6 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 10H-002?
The CAS number of 10H-002 is 251310-64-2.
What is the molecular formula of 10H-002?
The molecular formula of 10H-002 is C18H13ClF3N3O2S.
What is the molecular weight of 10H-002?
The molecular weight of 10H-002 is 427.04 g/mol.
Where can I buy 10H-002?
You can request a quote for 10H-002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10H-002?
Yes, KEHONG BIO provides custom synthesis services for 10H-002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.