1H-955
TL;DR: 1H-955 (CAS 321432-28-4) is a chemical compound with molecular formula C19H15ClF6N6O3 and molecular weight 524.08 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-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1H-955, 1-[[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-[3-(trifluoromethyl)phenyl]urea, 2-{[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]carbonyl}-N-[3-(trifluoromethyl)phenyl]-1-hydrazinecarboxamide, 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-4,5-dihydro-1,2-oxazole-3-carboxamide
| Molecular Formula | C19H15ClF6N6O3 |
|---|---|
| Molecular Weight | 524.08 g/mol |
| LogP | 4.1823 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.07983 |
| Heavy Atoms | 35 |
| Complexity | 1140.7917 |
Chemical Identifiers
| CAS Number | 321432-28-4 |
|---|---|
| SMILES | C1C(ON=C1C(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F)CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1H-955 (CAS 321432-28-4), with molecular formula C19H15ClF6N6O3 and molecular weight 524.08 g/mol. IUPAC: 1-[[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1H-955
Property Insights of 1H-955
The XLogP value of 4.1823 indicates that 1H-955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-955. Following Lipinski's Rule of Five, 1H-955 has 4 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-955?
The CAS number of 1H-955 is 321432-28-4.
What is the molecular formula of 1H-955?
The molecular formula of 1H-955 is C19H15ClF6N6O3.
What is the molecular weight of 1H-955?
The molecular weight of 1H-955 is 524.08 g/mol.
Where can I buy 1H-955?
You can request a quote for 1H-955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-955?
Yes, KEHONG BIO provides custom synthesis services for 1H-955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.