氯达香豆素
TL;DR: 氯达香豆素 (CAS 3611-72-1) is a chemical compound with molecular formula C15H11ClO2 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯达香豆素
1-benzofuran-2-yl-(4-chlorophenyl)methanol
Also Known As: Cloridarol, Clobenfurol, Menacor, chloridarol, Cloridarolum
| Molecular Formula | C15H11ClO2 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 33.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.04477 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 3611-72-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)Cl)O |
| InChIKey | KBFBRIPYVVGWRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯达香豆素 (CAS 3611-72-1), with molecular formula C15H11ClO2 and molecular weight 258.04 g/mol. IUPAC: 1-benzofuran-2-yl-(4-chlorophenyl)methanol.
Chemical Property Profile of 氯达香豆素
Property Insights of 氯达香豆素
The XLogP value of 3.8 indicates that 氯达香豆素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.4 Ų, 氯达香豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯达香豆素 has 1 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 氯达香豆素?
The CAS number of 氯达香豆素 is 3611-72-1.
What is the molecular formula of 氯达香豆素?
The molecular formula of 氯达香豆素 is C15H11ClO2.
What is the molecular weight of 氯达香豆素?
The molecular weight of 氯达香豆素 is 258.04 g/mol.
Where can I buy 氯达香豆素?
You can request a quote for 氯达香豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯达香豆素?
Yes, KEHONG BIO provides custom synthesis services for 氯达香豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.