3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine
TL;DR: 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine (CAS 81864-63-3) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 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-7,8-diamine
Also Known As: 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine, 3,4-Dihydro-2H-benzo[b][1,4]dioxepine-7,8-diamine, 2H,3H,4H-benzo[b]1,4-dioxepin-7,8-diamine, 959-592-2, RefChem:486113
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.0123 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 294.6359 |
Chemical Identifiers
| CAS Number | 81864-63-3 |
|---|---|
| SMILES | C1COC2=C(C=C(C(=C2)N)N)OC1 |
Product Overview
3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine (CAS 81864-63-3), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine.
Chemical Property Profile of 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine
Property Insights of 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine
The XLogP value of 1.0123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine 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 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine?
The CAS number of 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine is 81864-63-3.
What is the molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine?
The molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine is C9H12N2O2.
What is the molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine?
The molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine is 180.09 g/mol.
Where can I buy 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine?
You can request a quote for 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine 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-7,8-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,5-benzodioxepine-7,8-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.