5W-0235
TL;DR: 5W-0235 (CAS 866039-67-0) is a chemical compound with molecular formula C22H26N4O4 and molecular weight 410.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one
Also Known As: 5W-0235, 2-{2-[4-(2,6-dimethylphenyl)piperazino]ethyl}-7-nitro-2H-1,4-benzoxazin-3(4H)-one, 2-{2-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethyl}-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one, 2-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one
| Molecular Formula | C22H26N4O4 |
|---|---|
| Molecular Weight | 410.20 g/mol |
| LogP | 3.12344 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1954 |
| Heavy Atoms | 30 |
| Complexity | 949.35504 |
Chemical Identifiers
| CAS Number | 866039-67-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2CCN(CC2)CCC3C(=O)NC4=C(O3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
5W-0235 (CAS 866039-67-0), with molecular formula C22H26N4O4 and molecular weight 410.20 g/mol. IUPAC: 2-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethyl]-7-nitro-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 5W-0235
Property Insights of 5W-0235
The XLogP value of 3.12344 indicates that 5W-0235 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 5W-0235. Following Lipinski's Rule of Five, 5W-0235 has 1 hydrogen bond donor(s) and 6 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 5W-0235?
The CAS number of 5W-0235 is 866039-67-0.
What is the molecular formula of 5W-0235?
The molecular formula of 5W-0235 is C22H26N4O4.
What is the molecular weight of 5W-0235?
The molecular weight of 5W-0235 is 410.20 g/mol.
Where can I buy 5W-0235?
You can request a quote for 5W-0235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5W-0235?
Yes, KEHONG BIO provides custom synthesis services for 5W-0235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.