Methyl sec-butylcarbamate
TL;DR: Methyl sec-butylcarbamate (CAS 39076-02-3) 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-butan-2-ylcarbamate
Also Known As: methyl N-butan-2-ylcarbamate, METHYL SEC-BUTYLCARBAMATE, Methyl N-sec-butylcarbamate, N-carbomethoxy-2-aminobutane, METHYL N-(BUTAN-2-YL)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 | 93.0 |
Chemical Identifiers
| CAS Number | 39076-02-3 |
|---|---|
| SMILES | CCC(C)NC(=O)OC |
| InChIKey | OZXBLDXVIIDKNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl sec-butylcarbamate (CAS 39076-02-3), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: methyl N-butan-2-ylcarbamate.
Chemical Property Profile of Methyl sec-butylcarbamate
Property Insights of Methyl sec-butylcarbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl sec-butylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl sec-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl sec-butylcarbamate 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 sec-butylcarbamate?
The CAS number of Methyl sec-butylcarbamate is 39076-02-3.
What is the molecular formula of Methyl sec-butylcarbamate?
The molecular formula of Methyl sec-butylcarbamate is C6H13NO2.
What is the molecular weight of Methyl sec-butylcarbamate?
The molecular weight of Methyl sec-butylcarbamate is 131.09 g/mol.
Where can I buy Methyl sec-butylcarbamate?
You can request a quote for Methyl sec-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl sec-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl sec-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.