4-Hydroxymethyl-4',5'-benzopsoralen
TL;DR: 4-Hydroxymethyl-4',5'-benzopsoralen (CAS 123577-49-1) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxymethyl)-[1]benzofuro[3,2-g]chromen-2-one
Also Known As: HMeBP, 4-Hydroxymethyl-4',5'-benzopsoralen, 4-(hydroxymethyl)-[1]benzofuro[3,2-g]chromen-2-one, 4-(Hydroxymethyl)-2H-benzofuro(3,2-g)-1-benzopyran-2-one, 2H-Benzofuro(3,2-g)-1-benzopyran-2-one, 4-(hydroxymethyl)-
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 123577-49-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC4=C(C=C3O2)OC(=O)C=C4CO |
| InChIKey | DCXCMYXDFTYKIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxymethyl-4',5'-benzopsoralen (CAS 123577-49-1), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: 4-(hydroxymethyl)-[1]benzofuro[3,2-g]chromen-2-one.
Chemical Property Profile of 4-Hydroxymethyl-4',5'-benzopsoralen
Property Insights of 4-Hydroxymethyl-4',5'-benzopsoralen
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymethyl-4',5'-benzopsoralen. With a topological polar surface area (TPSA) of 59.7 Ų, 4-Hydroxymethyl-4',5'-benzopsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxymethyl-4',5'-benzopsoralen 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-Hydroxymethyl-4',5'-benzopsoralen?
The CAS number of 4-Hydroxymethyl-4',5'-benzopsoralen is 123577-49-1.
What is the molecular formula of 4-Hydroxymethyl-4',5'-benzopsoralen?
The molecular formula of 4-Hydroxymethyl-4',5'-benzopsoralen is C16H10O4.
What is the molecular weight of 4-Hydroxymethyl-4',5'-benzopsoralen?
The molecular weight of 4-Hydroxymethyl-4',5'-benzopsoralen is 266.06 g/mol.
Where can I buy 4-Hydroxymethyl-4',5'-benzopsoralen?
You can request a quote for 4-Hydroxymethyl-4',5'-benzopsoralen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymethyl-4',5'-benzopsoralen?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymethyl-4',5'-benzopsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.