10H-003
TL;DR: 10H-003 (CAS 1164457-74-2) is a chemical compound with molecular formula C17H10Cl2F3N3O2 and molecular weight 415.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-4-chloro-2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]methylidene]-3-oxobutanenitrile
Also Known As: 10H-003, 2-(2-chloroacetyl)-3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)acrylonitrile, (2E)-4-chloro-2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]methylidene]-3-oxobutanenitrile, (2E)-4-chloro-2-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-3-oxobutanenitrile
| Molecular Formula | C17H10Cl2F3N3O2 |
|---|---|
| Molecular Weight | 415.01 g/mol |
| LogP | 5.17338 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.01022 |
| Heavy Atoms | 27 |
| Complexity | 907.1201 |
Chemical Identifiers
| CAS Number | 1164457-74-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N/C=C(\C#N)/C(=O)CCl)OC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
10H-003 (CAS 1164457-74-2), with molecular formula C17H10Cl2F3N3O2 and molecular weight 415.01 g/mol. IUPAC: (2E)-4-chloro-2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]methylidene]-3-oxobutanenitrile.
Chemical Property Profile of 10H-003
Property Insights of 10H-003
The XLogP value of 5.17338 indicates that 10H-003 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-003. Following Lipinski's Rule of Five, 10H-003 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 10H-003?
The CAS number of 10H-003 is 1164457-74-2.
What is the molecular formula of 10H-003?
The molecular formula of 10H-003 is C17H10Cl2F3N3O2.
What is the molecular weight of 10H-003?
The molecular weight of 10H-003 is 415.01 g/mol.
Where can I buy 10H-003?
You can request a quote for 10H-003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10H-003?
Yes, KEHONG BIO provides custom synthesis services for 10H-003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.