3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one
TL;DR: 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one (CAS 22891-54-9) 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-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxepin-5-one
Also Known As: 2,3-Dihydro-3-(hydroxymethyl)-5H-1,4-benzodioxepin-5-one, 5-19-05-00508 (Beilstein Handbook Reference), 3-hydroxymethyl-2,3-dihydro-benzo[e][1,4]dioxepin-5-one, 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one, 5H-1,4-BENZODIOXEPIN-5-ONE, 2,3-DIHYDRO-3-(HYDROXYMETHYL)-
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 22891-54-9 |
|---|---|
| SMILES | C1C(OC(=O)C2=CC=CC=C2O1)CO |
| InChIKey | QRAPKMOTXWJWOZ-UHFFFAOYSA-N |
Product Overview
3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one (CAS 22891-54-9), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: 3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxepin-5-one.
Chemical Property Profile of 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one
Property Insights of 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one 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-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one?
The CAS number of 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one is 22891-54-9.
What is the molecular formula of 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one?
The molecular formula of 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one is C10H10O4.
What is the molecular weight of 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one?
The molecular weight of 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one is 194.06 g/mol.
Where can I buy 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one?
You can request a quote for 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxymethyl)-2,3-dihydro-5H-1,4-benzodioxepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.