3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid
TL;DR: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid (CAS 773132-14-2) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid
Also Known As: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid, 3-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-acrylic acid, 3-(2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)prop-2-enoic Acid
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.9457 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 423.02698 |
Chemical Identifiers
| CAS Number | 773132-14-2 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)C=CC(=O)O)OC1 |
Product Overview
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid (CAS 773132-14-2), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid
Property Insights of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid
The XLogP value of 1.9457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid 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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid?
The CAS number of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid is 773132-14-2.
What is the molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid?
The molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid is C12H12O4.
What is the molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid?
The molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid is 220.07 g/mol.
Where can I buy 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid?
You can request a quote for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.