3,3'-Methylenebis(5-chlorosaligenin)
TL;DR: 3,3'-Methylenebis(5-chlorosaligenin) (CAS 40542-32-3) is a chemical compound with molecular formula C15H14Cl2O4 and molecular weight 328.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol
Also Known As: 3,3'-Methylenebis(5-chlorosaligenin), 3,3'-Methylenebis[5-chlorosaligenin, Saligenin, 3,3'-methylenebis(5-chloro-, 3,3-Methylenebis[5-chlorosaligenin, Saligenin, 3,3/'-methylenebis(5-chloro-
| Molecular Formula | C15H14Cl2O4 |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.02692 |
| Heavy Atoms | 21 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 40542-32-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)CO)O)O)CO)Cl |
| InChIKey | DLFXILXMXGKZRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Methylenebis(5-chlorosaligenin) (CAS 40542-32-3), with molecular formula C15H14Cl2O4 and molecular weight 328.03 g/mol. IUPAC: 4-chloro-2-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol.
Chemical Property Profile of 3,3'-Methylenebis(5-chlorosaligenin)
Property Insights of 3,3'-Methylenebis(5-chlorosaligenin)
The XLogP value of 3.7 indicates that 3,3'-Methylenebis(5-chlorosaligenin) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Methylenebis(5-chlorosaligenin). Following Lipinski's Rule of Five, 3,3'-Methylenebis(5-chlorosaligenin) has 4 hydrogen bond donor(s) and 4 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 3,3'-Methylenebis(5-chlorosaligenin)?
The CAS number of 3,3'-Methylenebis(5-chlorosaligenin) is 40542-32-3.
What is the molecular formula of 3,3'-Methylenebis(5-chlorosaligenin)?
The molecular formula of 3,3'-Methylenebis(5-chlorosaligenin) is C15H14Cl2O4.
What is the molecular weight of 3,3'-Methylenebis(5-chlorosaligenin)?
The molecular weight of 3,3'-Methylenebis(5-chlorosaligenin) is 328.03 g/mol.
Where can I buy 3,3'-Methylenebis(5-chlorosaligenin)?
You can request a quote for 3,3'-Methylenebis(5-chlorosaligenin) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Methylenebis(5-chlorosaligenin)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Methylenebis(5-chlorosaligenin) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.