Methyl (isobutyl)carbamate
TL;DR: Methyl (isobutyl)carbamate (CAS 56875-02-6) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-methylpropyl)carbamate
Also Known As: Methyl (isobutyl)carbamate, methyl isobutylcarbamate, METHYL CARBAMATE, N-methoxycarbonylisobutylamine, methyl N-(2-methylpropyl)carbamate
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 56875-02-6 |
|---|---|
| SMILES | CC(C)CNC(=O)OC |
| InChIKey | XHNVYMUDGCGQLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (isobutyl)carbamate (CAS 56875-02-6), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: methyl N-(2-methylpropyl)carbamate.
Chemical Property Profile of Methyl (isobutyl)carbamate
Property Insights of Methyl (isobutyl)carbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (isobutyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl (isobutyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (isobutyl)carbamate has 1 hydrogen bond donor(s) and 2 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 (isobutyl)carbamate?
The CAS number of Methyl (isobutyl)carbamate is 56875-02-6.
What is the molecular formula of Methyl (isobutyl)carbamate?
The molecular formula of Methyl (isobutyl)carbamate is C6H13NO2.
What is the molecular weight of Methyl (isobutyl)carbamate?
The molecular weight of Methyl (isobutyl)carbamate is 131.09 g/mol.
Where can I buy Methyl (isobutyl)carbamate?
You can request a quote for Methyl (isobutyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (isobutyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (isobutyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.