2H-951
TL;DR: 2H-951 (CAS 338399-54-5) is a chemical compound with molecular formula C18H15ClF3N7O5 and molecular weight 501.08 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-(4-nitrophenyl)urea
Also Known As: 2H-951, 2-{[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]carbonyl}-N-(4-nitrophenyl)-1-hydrazinecarboxamide, 1-[[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-(4-nitrophenyl)urea, 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-{[(4-nitrophenyl)carbamoyl]amino}-4,5-dihydro-1,2-oxazole-3-carboxamide
| Molecular Formula | C18H15ClF3N7O5 |
|---|---|
| Molecular Weight | 501.08 g/mol |
| LogP | 3.0717 |
| Topological Polar Surface Area | 159.88 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.0775 |
| Heavy Atoms | 34 |
| Complexity | 1127.9108 |
Chemical Identifiers
| CAS Number | 338399-54-5 |
|---|---|
| SMILES | C1C(ON=C1C(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2H-951 (CAS 338399-54-5), with molecular formula C18H15ClF3N7O5 and molecular weight 501.08 g/mol. IUPAC: 1-[[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-(4-nitrophenyl)urea.
Chemical Property Profile of 2H-951
Property Insights of 2H-951
The XLogP value of 3.0717 indicates that 2H-951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.88 Ų indicates high polarity, suggesting 2H-951 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2H-951 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-951?
The CAS number of 2H-951 is 338399-54-5.
What is the molecular formula of 2H-951?
The molecular formula of 2H-951 is C18H15ClF3N7O5.
What is the molecular weight of 2H-951?
The molecular weight of 2H-951 is 501.08 g/mol.
Where can I buy 2H-951?
You can request a quote for 2H-951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-951?
Yes, KEHONG BIO provides custom synthesis services for 2H-951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.