1-Methylbutyl carbamate
TL;DR: 1-Methylbutyl carbamate (CAS 541-95-7) 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.
pentan-2-yl carbamate
Also Known As: Hedonal, pentan-2-yl carbamate, 1-Methylbutyl carbamate, Hedonal (drug), 2-Pentanol, carbamate
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 541-95-7 |
|---|---|
| SMILES | CCCC(C)OC(=O)N |
| InChIKey | HZMVPSHLMIQQNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylbutyl carbamate (CAS 541-95-7), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: pentan-2-yl carbamate.
Chemical Property Profile of 1-Methylbutyl carbamate
Property Insights of 1-Methylbutyl carbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylbutyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, 1-Methylbutyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylbutyl 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 1-Methylbutyl carbamate?
The CAS number of 1-Methylbutyl carbamate is 541-95-7.
What is the molecular formula of 1-Methylbutyl carbamate?
The molecular formula of 1-Methylbutyl carbamate is C6H13NO2.
What is the molecular weight of 1-Methylbutyl carbamate?
The molecular weight of 1-Methylbutyl carbamate is 131.09 g/mol.
Where can I buy 1-Methylbutyl carbamate?
You can request a quote for 1-Methylbutyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylbutyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylbutyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.