2H-954
TL;DR: 2H-954 (CAS 338399-57-8) is a chemical compound with molecular formula C16H13ClF3N5O3S and molecular weight 447.04 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'-(thiophene-2-carbonyl)-4,5-dihydro-1,2-oxazole-3-carbohydrazide
Also Known As: 2H-954, 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-N'-(2-thienylcarbonyl)-4,5-dihydro-3-isoxazolecarbohydrazide, 5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-N'-(thiophene-2-carbonyl)-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]thiophene-2-carbohydrazide
| Molecular Formula | C16H13ClF3N5O3S |
|---|---|
| Molecular Weight | 447.04 g/mol |
| LogP | 2.8333 |
| Topological Polar Surface Area | 104.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.03796 |
| Heavy Atoms | 29 |
| Complexity | 936.3767 |
Chemical Identifiers
| CAS Number | 338399-57-8 |
|---|---|
| SMILES | C1C(ON=C1C(=O)NNC(=O)C2=CC=CS2)CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2H-954 (CAS 338399-57-8), with molecular formula C16H13ClF3N5O3S and molecular weight 447.04 g/mol. IUPAC: 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N'-(thiophene-2-carbonyl)-4,5-dihydro-1,2-oxazole-3-carbohydrazide.
Chemical Property Profile of 2H-954
Property Insights of 2H-954
The XLogP value of 2.8333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-954. The TPSA of 104.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-954. Following Lipinski's Rule of Five, 2H-954 has 3 hydrogen bond donor(s) and 7 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 2H-954?
The CAS number of 2H-954 is 338399-57-8.
What is the molecular formula of 2H-954?
The molecular formula of 2H-954 is C16H13ClF3N5O3S.
What is the molecular weight of 2H-954?
The molecular weight of 2H-954 is 447.04 g/mol.
Where can I buy 2H-954?
You can request a quote for 2H-954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-954?
Yes, KEHONG BIO provides custom synthesis services for 2H-954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.