Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester
TL;DR: Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester (CAS 40374-16-1) is a chemical compound with molecular formula C13H15NO5 and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-4-yl N-butanoyl-N-methylcarbamate
Also Known As: Methyl(1-oxobutyl)carbamic acid 1,3-benzodioxol-4-yl ester, CARBAMIC ACID, METHYL(1-OXOBUTYL)-, 1,3-BENZODIOXOL-4-YL ESTER, 1,3-benzodioxol-4-yl N-butanoyl-N-methylcarbamate, 2H-1,3-Benzodioxol-4-yl butanoyl(methyl)carbamate, BENZO[1,3]DIOXOL-4-YL N-BUTANOYL-N-METHYL-CARBAMATE
| Molecular Formula | C13H15NO5 |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.09503 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 40374-16-1 |
|---|---|
| SMILES | CCCC(=O)N(C)C(=O)OC1=CC=CC2=C1OCO2 |
| InChIKey | MVGLHIJICQLVSH-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester (CAS 40374-16-1), with molecular formula C13H15NO5 and molecular weight 265.10 g/mol. IUPAC: 1,3-benzodioxol-4-yl N-butanoyl-N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester
Property Insights of Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester has 0 hydrogen bond donor(s) and 5 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 Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester?
The CAS number of Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester is 40374-16-1.
What is the molecular formula of Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester?
The molecular formula of Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester is C13H15NO5.
What is the molecular weight of Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester?
The molecular weight of Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester is 265.10 g/mol.
Where can I buy Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester?
You can request a quote for Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.