3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one
TL;DR: 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one (CAS 1658-77-1) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7,8-dihydroxy-4-methylchromen-2-one
Also Known As: 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one, 3-benzyl-7,8-dihydroxy-4-methylchromen-2-one, 3-benzyl-7,8-dihydroxy-4-methyl-coumarin, 3-Benzyl-7,8-dihydroxy-4-methyl-cumarin, 7,8-dihydroxy-4-methyl-3-benzylchromen-2-one
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.10342 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 863.33276 |
Chemical Identifiers
| CAS Number | 1658-77-1 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC3=CC=CC=C3 |
Product Overview
3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one (CAS 1658-77-1), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: 3-benzyl-7,8-dihydroxy-4-methylchromen-2-one.
Chemical Property Profile of 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one
Property Insights of 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one
The XLogP value of 3.10342 indicates that 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one has 2 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 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one?
The CAS number of 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one is 1658-77-1.
What is the molecular formula of 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one?
The molecular formula of 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one is C17H14O4.
What is the molecular weight of 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one?
The molecular weight of 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one is 282.09 g/mol.
Where can I buy 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one?
You can request a quote for 3-benzyl-7,8-dihydroxy-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 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.