1H-976
TL;DR: 1H-976 (CAS 190437-61-7) is a chemical compound with molecular formula C16H14Cl2F6N4O and molecular weight 462.04 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]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol
Also Known As: 1H-976, 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)amino]-1-ethanol, 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]amino]ethanol, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino}ethan-1-ol
| Molecular Formula | C16H14Cl2F6N4O |
|---|---|
| Molecular Weight | 462.04 g/mol |
| LogP | 4.7318 |
| Topological Polar Surface Area | 61.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.0449 |
| Heavy Atoms | 29 |
| Complexity | 847.1353 |
Chemical Identifiers
| CAS Number | 190437-61-7 |
|---|---|
| SMILES | C1=C(C=NC(=C1Cl)NCCN(CCO)C2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F |
Product Overview
1H-976 (CAS 190437-61-7), with molecular formula C16H14Cl2F6N4O and molecular weight 462.04 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]ethanol.
Chemical Property Profile of 1H-976
Property Insights of 1H-976
The XLogP value of 4.7318 indicates that 1H-976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-976. Following Lipinski's Rule of Five, 1H-976 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-976?
The CAS number of 1H-976 is 190437-61-7.
What is the molecular formula of 1H-976?
The molecular formula of 1H-976 is C16H14Cl2F6N4O.
What is the molecular weight of 1H-976?
The molecular weight of 1H-976 is 462.04 g/mol.
Where can I buy 1H-976?
You can request a quote for 1H-976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-976?
Yes, KEHONG BIO provides custom synthesis services for 1H-976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.