1H-966
TL;DR: 1H-966 (CAS 321432-37-5) is a chemical compound with molecular formula C19H14ClF6N5O3 and molecular weight 509.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N'-[3-(trifluoromethyl)benzoyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
Also Known As: 1H-966, 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-N'-[3-(trifluoromethyl)benzoyl]-4,5-dihydro-3-isoxazolecarbohydrazide, 5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-N'-[3-(trifluoromethyl)benzoyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide, N'-[5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carbonyl]-3-(trifluoromethyl)benzohydrazide
| Molecular Formula | C19H14ClF6N5O3 |
|---|---|
| Molecular Weight | 509.07 g/mol |
| LogP | 3.7906 |
| Topological Polar Surface Area | 104.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.06894 |
| Heavy Atoms | 34 |
| Complexity | 1122.3364 |
Chemical Identifiers
| CAS Number | 321432-37-5 |
|---|---|
| SMILES | C1C(ON=C1C(=O)NNC(=O)C2=CC(=CC=C2)C(F)(F)F)CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1H-966 (CAS 321432-37-5), with molecular formula C19H14ClF6N5O3 and molecular weight 509.07 g/mol. IUPAC: 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N'-[3-(trifluoromethyl)benzoyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide.
Chemical Property Profile of 1H-966
Property Insights of 1H-966
The XLogP value of 3.7906 indicates that 1H-966 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-966. Following Lipinski's Rule of Five, 1H-966 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-966?
The CAS number of 1H-966 is 321432-37-5.
What is the molecular formula of 1H-966?
The molecular formula of 1H-966 is C19H14ClF6N5O3.
What is the molecular weight of 1H-966?
The molecular weight of 1H-966 is 509.07 g/mol.
Where can I buy 1H-966?
You can request a quote for 1H-966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-966?
Yes, KEHONG BIO provides custom synthesis services for 1H-966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.