4,8-Dimethyl-5'-acetylpsoralen
TL;DR: 4,8-Dimethyl-5'-acetylpsoralen (CAS 114460-36-5) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-5,9-dimethylfuro[3,2-g]chromen-7-one
Also Known As: 4,8-Dimethyl-5'-acetylpsoralen, 2-acetyl-5,9-dimethylfuro[3,2-g]chromen-7-one, 4,8-dimethyl-5/'-acetylpsoralen, 2-Acetyl-5,9-dimethyl-7H-furo(3,2-g)(1)benzopyran-7-one, 1-[3-(3-Amino-2-hydroxypropoxy)phenyl]-3-phenylpropan-1-one
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 3.35864 |
| Topological Polar Surface Area | 60.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 880.4187 |
Chemical Identifiers
| CAS Number | 114460-36-5 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C(=O)C |
Product Overview
4,8-Dimethyl-5'-acetylpsoralen (CAS 114460-36-5), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: 2-acetyl-5,9-dimethylfuro[3,2-g]chromen-7-one.
Chemical Property Profile of 4,8-Dimethyl-5'-acetylpsoralen
Property Insights of 4,8-Dimethyl-5'-acetylpsoralen
The XLogP value of 3.35864 indicates that 4,8-Dimethyl-5'-acetylpsoralen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,8-Dimethyl-5'-acetylpsoralen. Following Lipinski's Rule of Five, 4,8-Dimethyl-5'-acetylpsoralen has 0 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 4,8-Dimethyl-5'-acetylpsoralen?
The CAS number of 4,8-Dimethyl-5'-acetylpsoralen is 114460-36-5.
What is the molecular formula of 4,8-Dimethyl-5'-acetylpsoralen?
The molecular formula of 4,8-Dimethyl-5'-acetylpsoralen is C15H12O4.
What is the molecular weight of 4,8-Dimethyl-5'-acetylpsoralen?
The molecular weight of 4,8-Dimethyl-5'-acetylpsoralen is 256.07 g/mol.
Where can I buy 4,8-Dimethyl-5'-acetylpsoralen?
You can request a quote for 4,8-Dimethyl-5'-acetylpsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8-Dimethyl-5'-acetylpsoralen?
Yes, KEHONG BIO provides custom synthesis services for 4,8-Dimethyl-5'-acetylpsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.