Isobutyl (5-methoxy-2-nitrophenyl)carbamate
TL;DR: Isobutyl (5-methoxy-2-nitrophenyl)carbamate (CAS 331726-79-5) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl N-(5-methoxy-2-nitrophenyl)carbamate
Also Known As: Isobutyl (5-methoxy-2-nitrophenyl)carbamate, BAS 00496637, 2-methylpropyl N-(5-methoxy-2-nitrophenyl)carbamate, (5-Methoxy-2-nitro-phenyl)-carbamic acid isobutyl ester
| Molecular Formula | C12H16N2O5 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 2.8079 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10593 |
| Heavy Atoms | 19 |
| Complexity | 473.1876 |
Chemical Identifiers
| CAS Number | 331726-79-5 |
|---|---|
| SMILES | CC(C)COC(=O)NC1=C(C=CC(=C1)OC)[N+](=O)[O-] |
Product Overview
Isobutyl (5-methoxy-2-nitrophenyl)carbamate (CAS 331726-79-5), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: 2-methylpropyl N-(5-methoxy-2-nitrophenyl)carbamate.
Chemical Property Profile of Isobutyl (5-methoxy-2-nitrophenyl)carbamate
Property Insights of Isobutyl (5-methoxy-2-nitrophenyl)carbamate
The XLogP value of 2.8079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl (5-methoxy-2-nitrophenyl)carbamate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutyl (5-methoxy-2-nitrophenyl)carbamate. Following Lipinski's Rule of Five, Isobutyl (5-methoxy-2-nitrophenyl)carbamate has 1 hydrogen bond donor(s) and 5 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 Isobutyl (5-methoxy-2-nitrophenyl)carbamate?
The CAS number of Isobutyl (5-methoxy-2-nitrophenyl)carbamate is 331726-79-5.
What is the molecular formula of Isobutyl (5-methoxy-2-nitrophenyl)carbamate?
The molecular formula of Isobutyl (5-methoxy-2-nitrophenyl)carbamate is C12H16N2O5.
What is the molecular weight of Isobutyl (5-methoxy-2-nitrophenyl)carbamate?
The molecular weight of Isobutyl (5-methoxy-2-nitrophenyl)carbamate is 268.11 g/mol.
Where can I buy Isobutyl (5-methoxy-2-nitrophenyl)carbamate?
You can request a quote for Isobutyl (5-methoxy-2-nitrophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl (5-methoxy-2-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl (5-methoxy-2-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.