RefChem:1064392
TL;DR: RefChem:1064392 (CAS 82846-14-8) is a chemical compound with molecular formula C18H17ClO5 and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(3,4-dimethoxyphenyl)-, Acrylophenone, 5'-chloro-2'-hydroxy-3'-hydroxymethyl-3-(3,4-dimethoxyphenyl)-, 1-(5-Chloro-2-hydroxy-3-(hydroxymethyl)phenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one, (E)-1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one, RefChem:1064392
| Molecular Formula | C18H17ClO5 |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 3.4512 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.07645 |
| Heavy Atoms | 24 |
| Complexity | 783.2189 |
Chemical Identifiers
| CAS Number | 82846-14-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=CC(=C2O)CO)Cl)OC |
Product Overview
RefChem:1064392 (CAS 82846-14-8), with molecular formula C18H17ClO5 and molecular weight 348.08 g/mol. IUPAC: (E)-1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of RefChem:1064392
Property Insights of RefChem:1064392
The XLogP value of 3.4512 indicates that RefChem:1064392 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064392. Following Lipinski's Rule of Five, RefChem:1064392 has 2 hydrogen bond donor(s) and 5 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 RefChem:1064392?
The CAS number of RefChem:1064392 is 82846-14-8.
What is the molecular formula of RefChem:1064392?
The molecular formula of RefChem:1064392 is C18H17ClO5.
What is the molecular weight of RefChem:1064392?
The molecular weight of RefChem:1064392 is 348.08 g/mol.
Where can I buy RefChem:1064392?
You can request a quote for RefChem:1064392 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064392?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064392 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.