1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate
TL;DR: 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate (CAS 40373-31-7) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-diethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Also Known As: 2,2-Diethyl-1,3-benzodioxol-4-ol methylcarbamate, 1,3-BENZODIOXOL-4-OL, 2,2-DIETHYL-, METHYLCARBAMATE, 2,2-Diethyl-2H-1,3-benzodioxol-4-yl methylcarbamate, (2,2-diethyl-1,3-benzodioxol-4-yl) N-methylcarbamate, BRN 1318969
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 40373-31-7 |
|---|---|
| SMILES | CCC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)CC |
| InChIKey | KVNDSAYQVIIYLJ-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate (CAS 40373-31-7), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: (2,2-diethyl-1,3-benzodioxol-4-yl) N-methylcarbamate.
Chemical Property Profile of 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate
Property Insights of 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate. With a topological polar surface area (TPSA) of 56.8 Ų, 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate 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-4-ol, 2,2-diethyl-, methylcarbamate?
The CAS number of 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate is 40373-31-7.
What is the molecular formula of 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate?
The molecular formula of 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate is C13H17NO4.
What is the molecular weight of 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate?
The molecular weight of 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate is 251.12 g/mol.
Where can I buy 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate?
You can request a quote for 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate 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-4-ol, 2,2-diethyl-, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.