8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin
TL;DR: 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin (CAS 131652-35-2) is a chemical compound with molecular formula C15H15ClO4 and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1-chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
Also Known As: Chloculol, 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin, 4CN-0134, 8-(1-chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one, 8-(1-chloro-2-hydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one
| Molecular Formula | C15H15ClO4 |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0659 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 131652-35-2 |
|---|---|
| SMILES | CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)Cl)O |
| InChIKey | HROGOCUMIJWOHN-UHFFFAOYSA-N |
Product Overview
8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin (CAS 131652-35-2), with molecular formula C15H15ClO4 and molecular weight 294.07 g/mol. IUPAC: 8-(1-chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one.
Chemical Property Profile of 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin
Property Insights of 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin. With a topological polar surface area (TPSA) of 55.8 Ų, 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin has 1 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 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin?
The CAS number of 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin is 131652-35-2.
What is the molecular formula of 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin?
The molecular formula of 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin is C15H15ClO4.
What is the molecular weight of 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin?
The molecular weight of 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin is 294.07 g/mol.
Where can I buy 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin?
You can request a quote for 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 8-(1-Chloro-2-hydroxy-3-methylbut-3-enyl)-7-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.