4-Hydroxymethyltetrahydrobenzopsoralen
TL;DR: 4-Hydroxymethyltetrahydrobenzopsoralen (CAS 123577-48-0) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxymethyl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one
Also Known As: 4-Hydroxymethyltetrahydrobenzopsoralen, OHTHBPS, 4-Hydorxymethyltetrahydrobenzopsoralen, 4-(hydroxymethyl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one, 2H-Benzofuro(3,2-g)-1-benzopyran-2-one, 6,7,8,9-tetrahydro-4-(hydroxymethyl)-
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 123577-48-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(O2)C=C4C(=C3)C(=CC(=O)O4)CO |
| InChIKey | ZFOHJZJKWGWLEE-UHFFFAOYSA-N |
Product Overview
4-Hydroxymethyltetrahydrobenzopsoralen (CAS 123577-48-0), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 4-(hydroxymethyl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one.
Chemical Property Profile of 4-Hydroxymethyltetrahydrobenzopsoralen
Property Insights of 4-Hydroxymethyltetrahydrobenzopsoralen
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymethyltetrahydrobenzopsoralen. With a topological polar surface area (TPSA) of 59.7 Ų, 4-Hydroxymethyltetrahydrobenzopsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxymethyltetrahydrobenzopsoralen has 1 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-Hydroxymethyltetrahydrobenzopsoralen?
The CAS number of 4-Hydroxymethyltetrahydrobenzopsoralen is 123577-48-0.
What is the molecular formula of 4-Hydroxymethyltetrahydrobenzopsoralen?
The molecular formula of 4-Hydroxymethyltetrahydrobenzopsoralen is C16H14O4.
What is the molecular weight of 4-Hydroxymethyltetrahydrobenzopsoralen?
The molecular weight of 4-Hydroxymethyltetrahydrobenzopsoralen is 270.09 g/mol.
Where can I buy 4-Hydroxymethyltetrahydrobenzopsoralen?
You can request a quote for 4-Hydroxymethyltetrahydrobenzopsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymethyltetrahydrobenzopsoralen?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymethyltetrahydrobenzopsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.