N-butyl-N-methyl-4-nitrophenyl carbamate
TL;DR: N-butyl-N-methyl-4-nitrophenyl carbamate (CAS 133989-59-0) is a chemical compound with molecular formula C12H15N2O4- and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-butyl-2-methyl-4-nitrophenyl)carbamate
Also Known As: Bmn-carbamate, N-Butyl-N-methyl-4-nitrophenyl carbamate, N-(3-butyl-2-methyl-4-nitrophenyl)carbamate, (3-Butyl-2-methyl-4-nitrophenyl)carbamate, RefChem:163050
| Molecular Formula | C12H15N2O4- |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 2.00102 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.10318 |
| Heavy Atoms | 18 |
| Complexity | 471.39038 |
Chemical Identifiers
| CAS Number | 133989-59-0 |
|---|---|
| SMILES | CCCCC1=C(C=CC(=C1C)NC(=O)[O-])[N+](=O)[O-] |
Product Overview
N-butyl-N-methyl-4-nitrophenyl carbamate (CAS 133989-59-0), with molecular formula C12H15N2O4- and molecular weight 251.10 g/mol. IUPAC: N-(3-butyl-2-methyl-4-nitrophenyl)carbamate.
Chemical Property Profile of N-butyl-N-methyl-4-nitrophenyl carbamate
Property Insights of N-butyl-N-methyl-4-nitrophenyl carbamate
The XLogP value of 2.00102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-N-methyl-4-nitrophenyl carbamate. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-N-methyl-4-nitrophenyl carbamate. Following Lipinski's Rule of Five, N-butyl-N-methyl-4-nitrophenyl carbamate has 1 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 N-butyl-N-methyl-4-nitrophenyl carbamate?
The CAS number of N-butyl-N-methyl-4-nitrophenyl carbamate is 133989-59-0.
What is the molecular formula of N-butyl-N-methyl-4-nitrophenyl carbamate?
The molecular formula of N-butyl-N-methyl-4-nitrophenyl carbamate is C12H15N2O4-.
What is the molecular weight of N-butyl-N-methyl-4-nitrophenyl carbamate?
The molecular weight of N-butyl-N-methyl-4-nitrophenyl carbamate is 251.10 g/mol.
Where can I buy N-butyl-N-methyl-4-nitrophenyl carbamate?
You can request a quote for N-butyl-N-methyl-4-nitrophenyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N-methyl-4-nitrophenyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N-methyl-4-nitrophenyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.