2H-923
TL;DR: 2H-923 (CAS 338399-31-8) is a chemical compound with molecular formula C18H15ClF3N7O4S and molecular weight 517.05 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-(4-nitrophenyl)thiourea
Also Known As: 2H-923, 1-[[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-3-(4-nitrophenyl)thiourea, 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-{[(4-nitrophenyl)carbamothioyl]amino}-4,5-dihydro-1,2-oxazole-3-carboxamide, 2-{[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]carbonyl}-N-(4-nitrophenyl)-1-hydrazinecarbothioamide, 5-[[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-3-isoxazolecarboxylic acid 2-[[(4-nitrophenyl)amino]thioxomethyl]hydrazide
| Molecular Formula | C18H15ClF3N7O4S |
|---|---|
| Molecular Weight | 517.05 g/mol |
| LogP | 3.2366 |
| Topological Polar Surface Area | 142.81 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 517.0547 |
| Heavy Atoms | 34 |
| Complexity | 1131.5204 |
Chemical Identifiers
| CAS Number | 338399-31-8 |
|---|---|
| SMILES | C1C(ON=C1C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2H-923 (CAS 338399-31-8), with molecular formula C18H15ClF3N7O4S and molecular weight 517.05 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)thiourea.
Chemical Property Profile of 2H-923
Property Insights of 2H-923
The XLogP value of 3.2366 indicates that 2H-923 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.81 Ų indicates high polarity, suggesting 2H-923 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2H-923 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-923?
The CAS number of 2H-923 is 338399-31-8.
What is the molecular formula of 2H-923?
The molecular formula of 2H-923 is C18H15ClF3N7O4S.
What is the molecular weight of 2H-923?
The molecular weight of 2H-923 is 517.05 g/mol.
Where can I buy 2H-923?
You can request a quote for 2H-923 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-923?
Yes, KEHONG BIO provides custom synthesis services for 2H-923 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.