Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester
TL;DR: Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester (CAS 40373-44-2) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methyl-N-pentanoylcarbamate
Also Known As: 2,2-Dimethyl-1,3-benzodioxol-4-yl N-pentanoyl-N-methylcarbamate, CARBAMIC ACID, METHYL(1-OXOPENTYL)-, 2,2-DIMETHYL-1,3-BENZODIOXOL-4-YL ESTER, Methyl(1-oxopentyl)carbamic acid 2,2-dimethyl-1,3-benzodioxol-4-yl ester, (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methyl-N-pentanoylcarbamate, 2,2-Dimethyl-2H-1,3-benzodioxol-4-yl methyl(pentanoyl)carbamate
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 40373-44-2 |
|---|---|
| SMILES | CCCCC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C |
| InChIKey | XBLQSZWOGKGTMT-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester (CAS 40373-44-2), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: (2,2-dimethyl-1,3-benzodioxol-4-yl) N-methyl-N-pentanoylcarbamate.
Chemical Property Profile of Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester
Property Insights of Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester
The XLogP value of 3.0 indicates that Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-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-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
The CAS number of Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester is 40373-44-2.
What is the molecular formula of Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
The molecular formula of Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester is C16H21NO5.
What is the molecular weight of Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
The molecular weight of Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester is 307.14 g/mol.
Where can I buy Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
You can request a quote for Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-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-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl(1-oxopentyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.