Columbianetin
TL;DR: Columbianetin (CAS 3804-70-4) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one
Also Known As: Columbianetin, (+)-columbianetin, (S)-Columbianetin, Columbianadin, Dihydrooroselol
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 3804-70-4 |
|---|---|
| SMILES | CC(C)([C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O |
| InChIKey | YRAQEMCYCSSHJG-NSHDSACASA-N |
Product Overview
Columbianetin (CAS 3804-70-4), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: (8S)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one.
Chemical Property Profile of Columbianetin
Property Insights of Columbianetin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Columbianetin. With a topological polar surface area (TPSA) of 55.8 Ų, Columbianetin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Columbianetin 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 Columbianetin?
The CAS number of Columbianetin is 3804-70-4.
What is the molecular formula of Columbianetin?
The molecular formula of Columbianetin is C14H14O4.
What is the molecular weight of Columbianetin?
The molecular weight of Columbianetin is 246.09 g/mol.
Where can I buy Columbianetin?
You can request a quote for Columbianetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Columbianetin?
Yes, KEHONG BIO provides custom synthesis services for Columbianetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.