3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
TL;DR: 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde (CAS 141860-49-3) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
Also Known As: 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde, 3,4-dihydro-3-hydroxy-2H-1,5-benzodioxepine-7-carboxaldehyde, 4-hydroxy-2,6-dioxabicyclo[5.4.0]undeca-8,10,12-triene-10-carbaldehyde
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 0.6312 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 347.97528 |
Chemical Identifiers
| CAS Number | 141860-49-3 |
|---|---|
| SMILES | C1C(COC2=C(O1)C=CC(=C2)C=O)O |
Product Overview
3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde (CAS 141860-49-3), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde.
Chemical Property Profile of 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
Property Insights of 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
The XLogP value of 0.6312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde. With a topological polar surface area (TPSA) of 55.76 Ų, 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde has 1 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-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde?
The CAS number of 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde is 141860-49-3.
What is the molecular formula of 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde?
The molecular formula of 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde is C10H10O4.
What is the molecular weight of 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde?
The molecular weight of 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde is 194.06 g/mol.
Where can I buy 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde?
You can request a quote for 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.