10W-0235
TL;DR: 10W-0235 (CAS 860611-56-9) is a chemical compound with molecular formula C21H18N4O8 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-dimethyl-2-(3-nitrobenzoyl)-5-oxopyrazol-4-yl]ethyl 3-nitrobenzoate
Also Known As: 10W-0235, 2-[1,3-dimethyl-2-(3-nitrobenzoyl)-5-oxopyrazol-4-yl]ethyl 3-nitrobenzoate, 2-[2,5-dimethyl-1-(3-nitrobenzoyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]ethyl 3-nitrobenzenecarboxylate, 2-[2,5-dimethyl-1-(3-nitrobenzoyl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]ethyl 3-nitrobenzoate, 2-[1,3-dimethyl-2-(3-nitrobenzoyl)-5-oxo-pyrazol-4-yl]ethyl 3-nitrobenzoate
| Molecular Formula | C21H18N4O8 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 2.39962 |
| Topological Polar Surface Area | 156.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.11246 |
| Heavy Atoms | 33 |
| Complexity | 1338.2728 |
Chemical Identifiers
| CAS Number | 860611-56-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
10W-0235 (CAS 860611-56-9), with molecular formula C21H18N4O8 and molecular weight 454.11 g/mol. IUPAC: 2-[1,3-dimethyl-2-(3-nitrobenzoyl)-5-oxopyrazol-4-yl]ethyl 3-nitrobenzoate.
Chemical Property Profile of 10W-0235
Property Insights of 10W-0235
The XLogP value of 2.39962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10W-0235. The TPSA of 156.58 Ų indicates high polarity, suggesting 10W-0235 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10W-0235 has 0 hydrogen bond donor(s) and 8 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 10W-0235?
The CAS number of 10W-0235 is 860611-56-9.
What is the molecular formula of 10W-0235?
The molecular formula of 10W-0235 is C21H18N4O8.
What is the molecular weight of 10W-0235?
The molecular weight of 10W-0235 is 454.11 g/mol.
Where can I buy 10W-0235?
You can request a quote for 10W-0235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10W-0235?
Yes, KEHONG BIO provides custom synthesis services for 10W-0235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.