Benzyl 1,3-benzodioxol-5-ylcarbamate
TL;DR: Benzyl 1,3-benzodioxol-5-ylcarbamate (CAS 709010-30-0) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(1,3-benzodioxol-5-yl)carbamate
Also Known As: Benzyl n-(1,3-dioxaindan-5-yl)carbamate, benzyl 1,3-benzodioxol-5-ylcarbamate, benzyl N-(1,3-benzodioxol-5-yl)carbamate, benzylN-(1,3-dioxaindan-5-yl)carbamate, Benzyl benzo[d][1,3]dioxol-5-ylcarbamate
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.164 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 612.5255 |
Chemical Identifiers
| CAS Number | 709010-30-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 1,3-benzodioxol-5-ylcarbamate (CAS 709010-30-0), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: benzyl N-(1,3-benzodioxol-5-yl)carbamate.
Chemical Property Profile of Benzyl 1,3-benzodioxol-5-ylcarbamate
Property Insights of Benzyl 1,3-benzodioxol-5-ylcarbamate
The XLogP value of 3.164 indicates that Benzyl 1,3-benzodioxol-5-ylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, Benzyl 1,3-benzodioxol-5-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 1,3-benzodioxol-5-ylcarbamate 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 Benzyl 1,3-benzodioxol-5-ylcarbamate?
The CAS number of Benzyl 1,3-benzodioxol-5-ylcarbamate is 709010-30-0.
What is the molecular formula of Benzyl 1,3-benzodioxol-5-ylcarbamate?
The molecular formula of Benzyl 1,3-benzodioxol-5-ylcarbamate is C15H13NO4.
What is the molecular weight of Benzyl 1,3-benzodioxol-5-ylcarbamate?
The molecular weight of Benzyl 1,3-benzodioxol-5-ylcarbamate is 271.08 g/mol.
Where can I buy Benzyl 1,3-benzodioxol-5-ylcarbamate?
You can request a quote for Benzyl 1,3-benzodioxol-5-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 1,3-benzodioxol-5-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 1,3-benzodioxol-5-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.