9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
TL;DR: 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid (CAS 855991-71-8) is a chemical compound with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
Also Known As: 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid, 9-Chloro-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carboxylic acid, Formamidine,1-hexyl-3,3-dimethyl, 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid, 9-chloro-2H,3H,4H-benzo[b]1,4-dioxepin-7-carboxylic acid
| Molecular Formula | C10H9ClO4 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 2.1995 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.01894 |
| Heavy Atoms | 15 |
| Complexity | 402.65402 |
Chemical Identifiers
| CAS Number | 855991-71-8 |
|---|---|
| SMILES | C1COC2=C(C(=CC(=C2)C(=O)O)Cl)OC1 |
Product Overview
9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid (CAS 855991-71-8), with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol. IUPAC: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid.
Chemical Property Profile of 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
Property Insights of 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
The XLogP value of 2.1995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid has 1 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 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
The CAS number of 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid is 855991-71-8.
What is the molecular formula of 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
The molecular formula of 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid is C10H9ClO4.
What is the molecular weight of 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
The molecular weight of 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid is 228.02 g/mol.
Where can I buy 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
You can request a quote for 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 9-chloro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.