Fibralactone
TL;DR: Fibralactone (CAS 29977-13-7) is a chemical compound with molecular formula C20H20O7 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3S,5R,11R,12R,13S,15S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadec-8-ene-7,17-dione
Also Known As: Fibralactone, Fibraurin, KST-1A3579, (1R,2S,3S,5R,11R,12R,13S,15S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadec-8-ene-7,17-dione, (2r,6ar,7r,7as,8as,9r,9as,9bs)-2-(furan-3-yl)-7-hydroxy-6a,9b-dimethyl-1,2,6,6a,7,7a,8a,9,9a,9b-decahydro-4h-9,7-(epoxymethano)[1]benzoxireno[3,4-f]isochromene-4,11-dione
| Molecular Formula | C20H20O7 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.1209 |
| Heavy Atoms | 27 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 29977-13-7 |
|---|---|
| SMILES | C[C@@]12CC=C3C(=O)O[C@H](C[C@]3([C@@H]1[C@@H]4[C@H]5[C@@H]([C@]2(C(=O)O4)O)O5)C)C6=COC=C6 |
| InChIKey | XUFRUKAPNGPYSR-UFTRZQDCSA-N |
Product Overview
Fibralactone (CAS 29977-13-7), with molecular formula C20H20O7 and molecular weight 372.12 g/mol. IUPAC: (1R,2S,3S,5R,11R,12R,13S,15S)-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14,16-trioxapentacyclo[10.3.2.02,11.03,8.013,15]heptadec-8-ene-7,17-dione.
Chemical Property Profile of Fibralactone
Property Insights of Fibralactone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fibralactone. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Fibralactone. Following Lipinski's Rule of Five, Fibralactone has 1 hydrogen bond donor(s) and 7 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 Fibralactone?
The CAS number of Fibralactone is 29977-13-7.
What is the molecular formula of Fibralactone?
The molecular formula of Fibralactone is C20H20O7.
What is the molecular weight of Fibralactone?
The molecular weight of Fibralactone is 372.12 g/mol.
Where can I buy Fibralactone?
You can request a quote for Fibralactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fibralactone?
Yes, KEHONG BIO provides custom synthesis services for Fibralactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.