Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate
TL;DR: Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate (CAS 66410-66-0) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate
Also Known As: EINECS 266-349-8, Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate, methyl 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate, methyl3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate, 3,4-Dihydro-2H-1,5-benzodioxepin-6-carboxylic acid methyl ester
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.6345 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 372.8507 |
Chemical Identifiers
| CAS Number | 66410-66-0 |
|---|---|
| SMILES | COC(=O)C1=C2C(=CC=C1)OCCCO2 |
Product Overview
Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate (CAS 66410-66-0), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: methyl 3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate.
Chemical Property Profile of Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate
Property Insights of Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate
The XLogP value of 1.6345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate has 0 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 Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate?
The CAS number of Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate is 66410-66-0.
What is the molecular formula of Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate?
The molecular formula of Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate is C11H12O4.
What is the molecular weight of Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate?
The molecular weight of Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate is 208.07 g/mol.
Where can I buy Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate?
You can request a quote for Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-dihydro-2H-benzo-1,5-dioxepin-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.