8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman
TL;DR: 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman (CAS 100883-68-9) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-2,2-dimethyl-8-prop-2-enyl-3H-chromen-4-one
Also Known As: Tabchromone B, 8-allyl-7-hydroxy-2,2-dimethyl-4-oxochroman, J3.111.162E, 8-allyl-7-hydroxy-2,2-dimethyl-chroman-4-one, 8-Allyl-7-hydroxy-2,2-dimethylchroman-4-one
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.8645 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 486.48584 |
Chemical Identifiers
| CAS Number | 100883-68-9 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(O1)C(=C(C=C2)O)CC=C)C |
Product Overview
8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman (CAS 100883-68-9), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 7-hydroxy-2,2-dimethyl-8-prop-2-enyl-3H-chromen-4-one.
Chemical Property Profile of 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman
Property Insights of 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman
The XLogP value of 2.8645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman. With a topological polar surface area (TPSA) of 46.53 Ų, 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman 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-7-hydroxy-2,2-dimethyl-4-oxochroman?
The CAS number of 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman is 100883-68-9.
What is the molecular formula of 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman?
The molecular formula of 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman is C14H16O3.
What is the molecular weight of 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman?
The molecular weight of 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman is 232.11 g/mol.
Where can I buy 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman?
You can request a quote for 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman?
Yes, KEHONG BIO provides custom synthesis services for 8-Allyl-7-hydroxy-2,2-dimethyl-4-oxochroman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.