CL 68A
TL;DR: CL 68A (CAS 99480-76-9) is a chemical compound with molecular formula C17H12Cl2O4 and molecular weight 350.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2-hydroxyphenyl]acetic acid
Also Known As: CL 68A, CL-68A, CL68A, 5-(3-(2,4-Dichlorophenyl)-1-oxo-2-propenyl)-2-hydroxybenzeneacetic acid, 2-[5-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2-hydroxyphenyl]acetic acid
| Molecular Formula | C17H12Cl2O4 |
|---|---|
| Molecular Weight | 350.01 g/mol |
| LogP | 4.2222 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.01126 |
| Heavy Atoms | 23 |
| Complexity | 797.17554 |
Chemical Identifiers
| CAS Number | 99480-76-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl)CC(=O)O)O |
Product Overview
CL 68A (CAS 99480-76-9), with molecular formula C17H12Cl2O4 and molecular weight 350.01 g/mol. IUPAC: 2-[5-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2-hydroxyphenyl]acetic acid.
Chemical Property Profile of CL 68A
Property Insights of CL 68A
The XLogP value of 4.2222 indicates that CL 68A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CL 68A. Following Lipinski's Rule of Five, CL 68A has 2 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 CL 68A?
The CAS number of CL 68A is 99480-76-9.
What is the molecular formula of CL 68A?
The molecular formula of CL 68A is C17H12Cl2O4.
What is the molecular weight of CL 68A?
The molecular weight of CL 68A is 350.01 g/mol.
Where can I buy CL 68A?
You can request a quote for CL 68A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CL 68A?
Yes, KEHONG BIO provides custom synthesis services for CL 68A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.