1-Methylbutyl carbamate
TL;DR: 1-Methylbutyl carbamate (CAS 541-95-7) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentan-2-yl carbamate
Also Known As: Hedonal, pentan-2-yl carbamate, 1-Methylbutyl carbamate, Hedonal (drug), 2-Pentanol, carbamate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.09464 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 131.09464 Da |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
| SMILES | CCCC(C)OC(=O)N |
| InChIKey | HZMVPSHLMIQQNX-UHFFFAOYSA-N |
Product Description
Applications: 1-Methylbutyl carbamate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Methylbutyl carbamate (CAS 541-95-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 1-Methylbutyl carbamate (CAS 541-95-7) has the molecular formula C6H13NO2 and a molecular weight of 131.09 g/mol. It is also known as Hedonal and pentan-2-yl carbamate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 131.09464 g/mol.
What are the applications of 1-Methylbutyl carbamate?
1-Methylbutyl carbamate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Methylbutyl carbamate (CAS...
Where can I buy 1-Methylbutyl carbamate?
You can request a quote for 1-Methylbutyl carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methylbutyl carbamate?
Yes, CoreyChem provides custom synthesis services for 1-Methylbutyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.