(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone
TL;DR: (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone (CAS 159175-59-4) is a chemical compound with molecular formula C15H11ClO3 and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-phenylmethanone
Also Known As: BIM-0021630.P001, (7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)(phenyl)methanone, 6-BENZOYL-7-CHLORO-2,3-DIHYDRO-1,4-BENZODIOXINE, (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-phenylmethanone, (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone
| Molecular Formula | C15H11ClO3 |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.03967 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 159175-59-4 |
|---|---|
| SMILES | C1COC2=C(O1)C=C(C(=C2)Cl)C(=O)C3=CC=CC=C3 |
| InChIKey | CLSSZTHVNUUTIG-UHFFFAOYSA-N |
Product Overview
(7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone (CAS 159175-59-4), with molecular formula C15H11ClO3 and molecular weight 274.04 g/mol. IUPAC: (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-phenylmethanone.
Chemical Property Profile of (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone
Property Insights of (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone
The XLogP value of 3.6 indicates that (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone has 0 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 (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone?
The CAS number of (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone is 159175-59-4.
What is the molecular formula of (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone?
The molecular formula of (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone is C15H11ClO3.
What is the molecular weight of (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone?
The molecular weight of (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone is 274.04 g/mol.
Where can I buy (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone?
You can request a quote for (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (7-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.