1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate
TL;DR: 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate (CAS 202599-98-2) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl N-(2,6-dimethylphenyl)carbamate
Also Known As: Carbamicacid, -,1,3-benzodioxol-5-ylmethylester, 1,3-benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate, 1,3-benzodioxol-5-ylmethyl N-(2,6-dimethylphenyl)carbamate, Benzo[1,3]dioxol-5-ylmethyl N-(2,6-dimethylphenyl)carbamate, Carbamic acid, (2,6-dimethylphenyl)-, 1,3-benzodioxol-5-ylmethyl ester (9CI)
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.78084 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 691.5503 |
Chemical Identifiers
| CAS Number | 202599-98-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)OCC2=CC3=C(C=C2)OCO3 |
Product Overview
1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate (CAS 202599-98-2), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl N-(2,6-dimethylphenyl)carbamate.
Chemical Property Profile of 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate
Property Insights of 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate
The XLogP value of 3.78084 indicates that 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate has 1 hydrogen bond donor(s) and 4 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 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate?
The CAS number of 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate is 202599-98-2.
What is the molecular formula of 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate?
The molecular formula of 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate is C17H17NO4.
What is the molecular weight of 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate?
The molecular weight of 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate is 299.12 g/mol.
Where can I buy 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate?
You can request a quote for 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ylmethyl 2,6-dimethylphenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.