2,4-己二烯醛
TL;DR: 2,4-己二烯醛 (CAS 80466-34-8) is a chemical compound with molecular formula C7H5Cl3O and molecular weight 209.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-己二烯醛
2,4-dichloro-6-(chloromethyl)phenol
Also Known As: 2,4-dichloro-6-(chloromethyl)phenol, 4,6-dichloro-2-(chloromethyl)phenol, phenol, 2,4-dichloro-6-(chloromethyl)-, Phenol,2,4-dichloro-6-(chloromethyl)-, 3.5-Dichlor-2-hydroxy-1-chlormethyl-benzol
| Molecular Formula | C7H5Cl3O |
|---|---|
| Molecular Weight | 209.94 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.9406 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 80466-34-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CCl)O)Cl)Cl |
| InChIKey | LIZMDFMRWJQJAC-UHFFFAOYSA-N |
Product Overview
2,4-己二烯醛 (CAS 80466-34-8), with molecular formula C7H5Cl3O and molecular weight 209.94 g/mol. IUPAC: 2,4-dichloro-6-(chloromethyl)phenol.
Chemical Property Profile of 2,4-己二烯醛
Property Insights of 2,4-己二烯醛
The XLogP value of 3.0 indicates that 2,4-己二烯醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4-己二烯醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-己二烯醛 has 1 hydrogen bond donor(s) and 1 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 2,4-己二烯醛?
The CAS number of 2,4-己二烯醛 is 80466-34-8.
What is the molecular formula of 2,4-己二烯醛?
The molecular formula of 2,4-己二烯醛 is C7H5Cl3O.
What is the molecular weight of 2,4-己二烯醛?
The molecular weight of 2,4-己二烯醛 is 209.94 g/mol.
Where can I buy 2,4-己二烯醛?
You can request a quote for 2,4-己二烯醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-己二烯醛?
Yes, KEHONG BIO provides custom synthesis services for 2,4-己二烯醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.