Columbin
TL;DR: Columbin (CAS 471-54-5) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3S,5S,8R,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
Also Known As: Columbin, Tinosporin, COLUMBIN [MI], KST-1A6866, s9167
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 471-54-5 |
|---|---|
| SMILES | C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@]3([C@@H]1[C@@H]4C=C[C@]2(C(=O)O4)O)C)C5=COC=C5 |
| InChIKey | AALLCALQGXXWNA-DURQJQQASA-N |
Product Overview
Columbin (CAS 471-54-5), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: (1S,2S,3S,5S,8R,11R,12S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione.
Chemical Property Profile of Columbin
Property Insights of Columbin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Columbin. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Columbin. Following Lipinski's Rule of Five, Columbin has 1 hydrogen bond donor(s) and 6 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 Columbin?
The CAS number of Columbin is 471-54-5.
What is the molecular formula of Columbin?
The molecular formula of Columbin is C20H22O6.
What is the molecular weight of Columbin?
The molecular weight of Columbin is 358.14 g/mol.
Where can I buy Columbin?
You can request a quote for Columbin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Columbin?
Yes, KEHONG BIO provides custom synthesis services for Columbin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.