7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide
TL;DR: 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide (CAS 90761-31-2) is a chemical compound with molecular formula C13H14Cl2O3 and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxyoxan-2-one
Also Known As: DCPHH, 6-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxyoxan-2-one, 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide, RefChem:105653
| Molecular Formula | C13H14Cl2O3 |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.032 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 90761-31-2 |
|---|---|
| SMILES | C1C(CC(=O)OC1CCC2=C(C=C(C=C2)Cl)Cl)O |
| InChIKey | CEXNFLNQAGNWPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide (CAS 90761-31-2), with molecular formula C13H14Cl2O3 and molecular weight 288.03 g/mol. IUPAC: 6-[2-(2,4-dichlorophenyl)ethyl]-4-hydroxyoxan-2-one.
Chemical Property Profile of 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide
Property Insights of 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide
The XLogP value of 3.2 indicates that 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide 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 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide?
The CAS number of 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide is 90761-31-2.
What is the molecular formula of 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide?
The molecular formula of 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide is C13H14Cl2O3.
What is the molecular weight of 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide?
The molecular weight of 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide is 288.03 g/mol.
Where can I buy 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide?
You can request a quote for 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,4-Dichlorophenyl)-3-hydroxy-5-heptanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.