4,7,5'-Trimethylallopsoralen
TL;DR: 4,7,5'-Trimethylallopsoralen (CAS 80751-38-8) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,9-trimethylfuro[2,3-f]chromen-7-one
Also Known As: 3,4,9-Trimethylallopsoralen, 4,7,5'-Trimethylallopsoralen, 7H-Furo(2,3-f)(1)benzopyran-7-one, 3,4,9-trimethyl-, 3,4,9-trimethylfuro[2,3-f]chromen-7-one, 3,4,9-trimethyl-7H-furo[2,3-f]chromen-7-one
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 80751-38-8 |
|---|---|
| SMILES | CC1=CC2=C(C(=CC(=O)O2)C)C3=C1C(=CO3)C |
| InChIKey | YTECQPJHHAHABZ-UHFFFAOYSA-N |
Product Overview
4,7,5'-Trimethylallopsoralen (CAS 80751-38-8), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 3,4,9-trimethylfuro[2,3-f]chromen-7-one.
Chemical Property Profile of 4,7,5'-Trimethylallopsoralen
Property Insights of 4,7,5'-Trimethylallopsoralen
The XLogP value of 3.0 indicates that 4,7,5'-Trimethylallopsoralen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, 4,7,5'-Trimethylallopsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7,5'-Trimethylallopsoralen has 0 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 4,7,5'-Trimethylallopsoralen?
The CAS number of 4,7,5'-Trimethylallopsoralen is 80751-38-8.
What is the molecular formula of 4,7,5'-Trimethylallopsoralen?
The molecular formula of 4,7,5'-Trimethylallopsoralen is C14H12O3.
What is the molecular weight of 4,7,5'-Trimethylallopsoralen?
The molecular weight of 4,7,5'-Trimethylallopsoralen is 228.08 g/mol.
Where can I buy 4,7,5'-Trimethylallopsoralen?
You can request a quote for 4,7,5'-Trimethylallopsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7,5'-Trimethylallopsoralen?
Yes, KEHONG BIO provides custom synthesis services for 4,7,5'-Trimethylallopsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.