3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride
TL;DR: 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride (CAS 66410-68-2) is a chemical compound with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride
Also Known As: 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride, quinolin-8-ylacetonitrile, 3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-6-CARBONYLCHLORIDE
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 2.2269 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 362.3848 |
Chemical Identifiers
| CAS Number | 66410-68-2 |
|---|---|
| SMILES | C1COC2=CC=CC(=C2OC1)C(=O)Cl |
Product Overview
3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride (CAS 66410-68-2), with molecular formula C10H9ClO3 and molecular weight 212.02 g/mol. IUPAC: 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride.
Chemical Property Profile of 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride
Property Insights of 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride
The XLogP value of 2.2269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride. With a topological polar surface area (TPSA) of 35.53 Ų, 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride has 0 hydrogen bond donor(s) and 3 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 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride?
The CAS number of 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride is 66410-68-2.
What is the molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride?
The molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride is C10H9ClO3.
What is the molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride?
The molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride is 212.02 g/mol.
Where can I buy 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride?
You can request a quote for 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,5-benzodioxepine-6-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.