Isopimpinellin
TL;DR: Isopimpinellin (CAS 482-27-9) is a chemical compound with molecular formula C13H10O5 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,9-dimethoxyfuro[3,2-g]chromen-7-one
Also Known As: Isopimpinellin, 5,8-Dimethoxypsoralen, 5,8-Dimethoxypsoralene, Isoimpinellin, isopimpinelline
| Molecular Formula | C13H10O5 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.05283 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
| Melting Point | 151 °C |
Chemical Identifiers
| CAS Number | 482-27-9 |
|---|---|
| SMILES | COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC |
| InChIKey | DFMAXQKDIGCMTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopimpinellin (CAS 482-27-9), with molecular formula C13H10O5 and molecular weight 246.05 g/mol. IUPAC: 4,9-dimethoxyfuro[3,2-g]chromen-7-one.
Chemical Property Profile of Isopimpinellin
Property Insights of Isopimpinellin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopimpinellin. With a topological polar surface area (TPSA) of 57.9 Ų, Isopimpinellin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopimpinellin has 0 hydrogen bond donor(s) and 5 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 Isopimpinellin?
The CAS number of Isopimpinellin is 482-27-9.
What is the molecular formula of Isopimpinellin?
The molecular formula of Isopimpinellin is C13H10O5.
What is the molecular weight of Isopimpinellin?
The molecular weight of Isopimpinellin is 246.05 g/mol.
Where can I buy Isopimpinellin?
You can request a quote for Isopimpinellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopimpinellin?
Yes, KEHONG BIO provides custom synthesis services for Isopimpinellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.