8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one
TL;DR: 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 141536-68-7) is a chemical compound with molecular formula C13H11ClO3 and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-7-hydroxy-4-methyl-8-prop-2-enylchromen-2-one
Also Known As: 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one, AN-829/13872047, 4-Methyl-6-chloro-8-(2-propenyl)-7-hydroxycoumarin, 6-chloro-7-hydroxy-4-methyl-8-prop-2-enylchromen-2-one, 6-chloro-7-hydroxy-4-methyl-8-(prop-2-en-1-yl)-2H-chromen-2-one
| Molecular Formula | C13H11ClO3 |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 3.18892 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.03967 |
| Heavy Atoms | 17 |
| Complexity | 655.7427 |
Chemical Identifiers
| CAS Number | 141536-68-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CC=C |
Product Overview
8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one (CAS 141536-68-7), with molecular formula C13H11ClO3 and molecular weight 250.04 g/mol. IUPAC: 6-chloro-7-hydroxy-4-methyl-8-prop-2-enylchromen-2-one.
Chemical Property Profile of 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one
Property Insights of 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 3.18892 indicates that 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one has 1 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 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one is 141536-68-7.
What is the molecular formula of 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one is C13H11ClO3.
What is the molecular weight of 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one is 250.04 g/mol.
Where can I buy 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-allyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.