(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
TL;DR: (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol (CAS 852956-43-5) is a chemical compound with molecular formula C10H11ClO3 and molecular weight 214.04 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-benzodioxepin-8-yl)methanol
Also Known As: (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol, (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol, 979-318-5, RefChem:405539
| Molecular Formula | C10H11ClO3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 1.9936 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.03967 |
| Heavy Atoms | 14 |
| Complexity | 338.38416 |
Chemical Identifiers
| CAS Number | 852956-43-5 |
|---|---|
| SMILES | C1COC2=C(C(=CC(=C2)CO)Cl)OC1 |
Product Overview
(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol (CAS 852956-43-5), with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol. IUPAC: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol.
Chemical Property Profile of (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
Property Insights of (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
The XLogP value of 1.9936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol. With a topological polar surface area (TPSA) of 38.69 Ų, (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol 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-benzodioxepin-7-yl)methanol?
The CAS number of (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol is 852956-43-5.
What is the molecular formula of (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol?
The molecular formula of (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol is C10H11ClO3.
What is the molecular weight of (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol?
The molecular weight of (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol is 214.04 g/mol.
Where can I buy (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol?
You can request a quote for (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol 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-benzodioxepin-7-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.