9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran
TL;DR: 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran (CAS 5196-74-7) is a chemical compound with molecular formula C11H7ClO4 and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-2,3-dihydro-[1,4]dioxepino[6,5-b][1]benzofuran-5-one
Also Known As: Cid 6452541, 9-Chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran, 9-chloro-2,3-dihydro-[1,4]dioxepino[6,5-b][1]benzofuran-5-one, 5H-1,4-Dioxepino(6,5-b)benzofuran-5-one, 9-chloro-2,3-dihydro-, 9-Chloro-2,3-dihydro-5H-[1,4]dioxepino[6,5-b][1]benzofuran-5-one
| Molecular Formula | C11H7ClO4 |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 2.6354 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.00328 |
| Heavy Atoms | 16 |
| Complexity | 572.6134 |
Chemical Identifiers
| CAS Number | 5196-74-7 |
|---|---|
| SMILES | C1COC(=O)C2=C(O1)C3=C(O2)C=CC(=C3)Cl |
Product Overview
9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran (CAS 5196-74-7), with molecular formula C11H7ClO4 and molecular weight 238.00 g/mol. IUPAC: 9-chloro-2,3-dihydro-[1,4]dioxepino[6,5-b][1]benzofuran-5-one.
Chemical Property Profile of 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran
Property Insights of 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran
The XLogP value of 2.6354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran. With a topological polar surface area (TPSA) of 48.67 Ų, 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran has 0 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 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran?
The CAS number of 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran is 5196-74-7.
What is the molecular formula of 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran?
The molecular formula of 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran is C11H7ClO4.
What is the molecular weight of 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran?
The molecular weight of 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran is 238.00 g/mol.
Where can I buy 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran?
You can request a quote for 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran?
Yes, KEHONG BIO provides custom synthesis services for 9-chloro-2,3-dihydro-5H-1,4-dioxepino(6,5-6)benzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.