8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
TL;DR: 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid (CAS 847837-48-3) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
Also Known As: 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid, 7-amino-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid, 8-amino-2H,3H,4H-benzo[b]1,4-dioxepin-7-carboxylic acid, 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylicacid, 8-Amino-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-carboxylic acid
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.1283 |
| Topological Polar Surface Area | 81.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 402.65402 |
Chemical Identifiers
| CAS Number | 847837-48-3 |
|---|---|
| SMILES | C1COC2=C(C=C(C(=C2)C(=O)O)N)OC1 |
Product Overview
8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid (CAS 847837-48-3), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 7-amino-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid.
Chemical Property Profile of 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
Property Insights of 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid
The XLogP value of 1.1283 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid. The TPSA of 81.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid. Following Lipinski's Rule of Five, 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid has 2 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 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
The CAS number of 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid is 847837-48-3.
What is the molecular formula of 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
The molecular formula of 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid is C10H11NO4.
What is the molecular weight of 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
The molecular weight of 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid is 209.07 g/mol.
Where can I buy 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
You can request a quote for 8-amino-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 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-amino-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.