3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol
TL;DR: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol (CAS 499770-81-9) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol
Also Known As: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol, 2-INDOLYL(3)-ETHANOL, 1-bromo-4-(difluoromethyl)benzene, (3,4-Dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methanol, (3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanol
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.3402 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 296.22137 |
Chemical Identifiers
| CAS Number | 499770-81-9 |
|---|---|
| SMILES | C1COC2=CC=CC(=C2OC1)CO |
Product Overview
3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol (CAS 499770-81-9), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol.
Chemical Property Profile of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol
Property Insights of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol
The XLogP value of 1.3402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol. With a topological polar surface area (TPSA) of 38.69 Ų, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol 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 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol?
The CAS number of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol is 499770-81-9.
What is the molecular formula of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol?
The molecular formula of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol is C10H12O3.
What is the molecular weight of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol?
The molecular weight of 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol is 180.08 g/mol.
Where can I buy 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol?
You can request a quote for 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol 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-benzodioxepin-6-ylmethanol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.