Columbianadin
TL;DR: Columbianadin (CAS 5058-13-9) is a chemical compound with molecular formula C19H20O5 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylbut-2-enoate
Also Known As: Columbianadin, 2-[(8S)-2-oxo-8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl (2E)-2-methylbut-2-enoate, 2-[(8S)-2-OXO-8H,9H-FURO[2,3-H]CHROMEN-8-YL]PROPAN-2-YL (2Z)-2-METHYLBUT-2-ENOATE
| Molecular Formula | C19H20O5 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.13107 |
| Heavy Atoms | 24 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 5058-13-9 |
|---|---|
| SMILES | CC=C(C)C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3 |
| InChIKey | JRIBPWOXWIRQOQ-HNNXBMFYSA-N |
Product Overview
Columbianadin (CAS 5058-13-9), with molecular formula C19H20O5 and molecular weight 328.13 g/mol. IUPAC: 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl 2-methylbut-2-enoate.
Chemical Property Profile of Columbianadin
Property Insights of Columbianadin
The XLogP value of 3.7 indicates that Columbianadin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Columbianadin. Following Lipinski's Rule of Five, Columbianadin 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 Columbianadin?
The CAS number of Columbianadin is 5058-13-9.
What is the molecular formula of Columbianadin?
The molecular formula of Columbianadin is C19H20O5.
What is the molecular weight of Columbianadin?
The molecular weight of Columbianadin is 328.13 g/mol.
Where can I buy Columbianadin?
You can request a quote for Columbianadin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Columbianadin?
Yes, KEHONG BIO provides custom synthesis services for Columbianadin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.