![3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid structure](/static/products/854/854357-33-8.png)
3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid
TL;DR: 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid (CAS 854357-33-8) is a chemical compound with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoic acid
Also Known As: (2E)-3-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid, 3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoic acid, 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid, (2E)-3-(9-CHLORO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)PROP-2-ENOIC ACID, 3-(8-chloro-2,6-dioxabicyclo[5.4.0]undeca-8,10,12-trien-10-yl)prop-2-enoic Acid
| Molecular Formula | C12H11ClO4 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.5991 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.03459 |
| Heavy Atoms | 17 |
| Complexity | 467.81857 |
Chemical Identifiers
| CAS Number | 854357-33-8 |
|---|---|
| SMILES | C1COC2=C(C(=CC(=C2)C=CC(=O)O)Cl)OC1 |
Product Overview
3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid (CAS 854357-33-8), with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol. IUPAC: 3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid
Property Insights of 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid
The XLogP value of 2.5991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic 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-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid?
The CAS number of 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid is 854357-33-8.
What is the molecular formula of 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid?
The molecular formula of 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid is C12H11ClO4.
What is the molecular weight of 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid?
The molecular weight of 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid is 254.03 g/mol.
Where can I buy 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid?
You can request a quote for 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(9-Chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.