柽柳素
TL;DR: 柽柳素 (CAS 603-61-2) is a chemical compound with molecular formula C12H7Cl3O2 and molecular weight 287.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柽柳素
4-(2,4,6-trichlorophenyl)benzene-1,2-diol
Also Known As: 4-(2,4,6-trichlorophenyl)benzene-1,2-diol, 2',4',6'-trichlorobiphenyl-3,4-diol, 2,4,6-trichloro-3',4'-biphenyldiol, J1.067.177I, 2',4',6'-Trichloro[1,1'-biphenyl]-3,4-diol
| Molecular Formula | C12H7Cl3O2 |
|---|---|
| Molecular Weight | 287.95 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.95117 |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 603-61-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C=C(C=C2Cl)Cl)Cl)O)O |
| InChIKey | YDAJQRJBLONOCA-UHFFFAOYSA-N |
Product Overview
柽柳素 (CAS 603-61-2), with molecular formula C12H7Cl3O2 and molecular weight 287.95 g/mol. IUPAC: 4-(2,4,6-trichlorophenyl)benzene-1,2-diol.
Chemical Property Profile of 柽柳素
Property Insights of 柽柳素
The XLogP value of 4.7 indicates that 柽柳素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 柽柳素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 柽柳素 has 2 hydrogen bond donor(s) and 2 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 柽柳素?
The CAS number of 柽柳素 is 603-61-2.
What is the molecular formula of 柽柳素?
The molecular formula of 柽柳素 is C12H7Cl3O2.
What is the molecular weight of 柽柳素?
The molecular weight of 柽柳素 is 287.95 g/mol.
Where can I buy 柽柳素?
You can request a quote for 柽柳素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柽柳素?
Yes, KEHONG BIO provides custom synthesis services for 柽柳素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.