3H-965
TL;DR: 3H-965 (CAS 338410-32-5) is a chemical compound with molecular formula C13H14ClF3N6O2S and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-methylthiourea
Also Known As: 3H-965, 2-{[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]carbonyl}-N-methyl-1-hydrazinecarbothioamide, 1-[[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-methylthiourea, 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-[(methylcarbamothioyl)amino]-4,5-dihydro-1,2-oxazole-3-carboxamide
| Molecular Formula | C13H14ClF3N6O2S |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 1.4357 |
| Topological Polar Surface Area | 99.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.05396 |
| Heavy Atoms | 26 |
| Complexity | 730.32117 |
Chemical Identifiers
| CAS Number | 338410-32-5 |
|---|---|
| SMILES | CNC(=S)NNC(=O)C1=NOC(C1)CNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
3H-965 (CAS 338410-32-5), with molecular formula C13H14ClF3N6O2S and molecular weight 410.05 g/mol. IUPAC: 1-[[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-methylthiourea.
Chemical Property Profile of 3H-965
Property Insights of 3H-965
The XLogP value of 1.4357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-965. The TPSA of 99.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-965. Following Lipinski's Rule of Five, 3H-965 has 4 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 3H-965?
The CAS number of 3H-965 is 338410-32-5.
What is the molecular formula of 3H-965?
The molecular formula of 3H-965 is C13H14ClF3N6O2S.
What is the molecular weight of 3H-965?
The molecular weight of 3H-965 is 410.05 g/mol.
Where can I buy 3H-965?
You can request a quote for 3H-965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-965?
Yes, KEHONG BIO provides custom synthesis services for 3H-965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.