Methyl butylnitrosocarbamate
TL;DR: Methyl butylnitrosocarbamate (CAS 63884-87-7) is a chemical compound with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-butyl-N-nitrosocarbamate
Also Known As: Methyl butylnitrosocarbamate, Methyl butyl(nitroso)carbamate, Methyl N-butyl-N-nitrosocarbamate, NIOSH/EZ1288500, N-butyl-N'-oxomethoxycarbohydrazide
| Molecular Formula | C6H12N2O3 |
|---|---|
| Molecular Weight | 160.08 g/mol |
| LogP | 1.5363 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.0848 |
| Heavy Atoms | 11 |
| Complexity | 137.78908 |
Chemical Identifiers
| CAS Number | 63884-87-7 |
|---|---|
| SMILES | CCCCN(C(=O)OC)N=O |
Product Overview
Methyl butylnitrosocarbamate (CAS 63884-87-7), with molecular formula C6H12N2O3 and molecular weight 160.08 g/mol. IUPAC: methyl N-butyl-N-nitrosocarbamate.
Chemical Property Profile of Methyl butylnitrosocarbamate
Property Insights of Methyl butylnitrosocarbamate
The XLogP value of 1.5363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl butylnitrosocarbamate. With a topological polar surface area (TPSA) of 58.97 Ų, Methyl butylnitrosocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl butylnitrosocarbamate 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 Methyl butylnitrosocarbamate?
The CAS number of Methyl butylnitrosocarbamate is 63884-87-7.
What is the molecular formula of Methyl butylnitrosocarbamate?
The molecular formula of Methyl butylnitrosocarbamate is C6H12N2O3.
What is the molecular weight of Methyl butylnitrosocarbamate?
The molecular weight of Methyl butylnitrosocarbamate is 160.08 g/mol.
Where can I buy Methyl butylnitrosocarbamate?
You can request a quote for Methyl butylnitrosocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl butylnitrosocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl butylnitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.