3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one
TL;DR: 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one (CAS 313986-04-8) is a chemical compound with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methyl]-1,3-benzoxazol-2-one
Also Known As: 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one, 3-(4-Nitrobenzyl)benzo[d]oxazol-2(3H)-one, 3-[(4-nitrophenyl)methyl]-1,3-benzoxazol-2-one, 2(3H)-benzoxazolone, 3-[(4-nitrophenyl)methyl]-, 3-[(4-nitrophenyl)methyl]-3-hydrobenzoxazol-2-one
| Molecular Formula | C14H10N2O4 |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.551 |
| Topological Polar Surface Area | 78.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.06406 |
| Heavy Atoms | 20 |
| Complexity | 830.2512 |
Chemical Identifiers
| CAS Number | 313986-04-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one (CAS 313986-04-8), with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol. IUPAC: 3-[(4-nitrophenyl)methyl]-1,3-benzoxazol-2-one.
Chemical Property Profile of 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one
Property Insights of 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one
The XLogP value of 2.551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one. The TPSA of 78.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one. Following Lipinski's Rule of Five, 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one has 0 hydrogen bond donor(s) and 4 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 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
The CAS number of 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one is 313986-04-8.
What is the molecular formula of 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
The molecular formula of 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one is C14H10N2O4.
What is the molecular weight of 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
The molecular weight of 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one is 270.06 g/mol.
Where can I buy 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
You can request a quote for 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrobenzyl)-1,3-benzoxazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.