2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid
TL;DR: 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid (CAS 874623-17-3) is a chemical compound with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid
Also Known As: (9-Chloro-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-acetic acid, (9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid, 1239AF, 2-(9-Chloro-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)acetic acid, 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid
| Molecular Formula | C11H11ClO4 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 2.1284 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.03459 |
| Heavy Atoms | 16 |
| Complexity | 416.69073 |
Chemical Identifiers
| CAS Number | 874623-17-3 |
|---|---|
| SMILES | C1COC2=C(C(=CC(=C2)CC(=O)O)Cl)OC1 |
Product Overview
2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid (CAS 874623-17-3), with molecular formula C11H11ClO4 and molecular weight 242.03 g/mol. IUPAC: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid.
Chemical Property Profile of 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid
Property Insights of 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid
The XLogP value of 2.1284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic 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 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid?
The CAS number of 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid is 874623-17-3.
What is the molecular formula of 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid?
The molecular formula of 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid is C11H11ClO4.
What is the molecular weight of 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid?
The molecular weight of 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid is 242.03 g/mol.
Where can I buy 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid?
You can request a quote for 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.