Surenolactone
TL;DR: Surenolactone (CAS 81040-61-1) is a chemical compound with molecular formula C26H32O6 and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,8R,12R,13S,15R,17S,18S)-17-(furan-3-yl)-2,7,7,12,18-pentamethyl-6,11,14-trioxapentacyclo[10.8.0.02,8.013,15.013,18]icos-3-ene-5,10-dione
Also Known As: Surenolactone, Penamaldic acid, Oxepino(4,3-d)oxireno(3,3a)indeno(4,5-b)oxepin-5,9(6H,7H)-dione,1-(3-furanyl)-1,2,2a,3b,6a,11a,11b,12,13,13a-decahydro-3b,7,7,11a,13a-pentamethyl-, (1S,2aR,3aS,3bR,6aR,11aS,11bR,13aS)-, (3aR,8aS,8bR,10aS,11S,12aR,13aS,13bR)-11-(Furan-3-yl)-4,4,8a,10a,13b-pentamethyl-3a,8a,8b,9,10,10a,11,12,12a,13b-decahydrooxepino[4,3-d]oxireno[3,3a]indeno[4,5-b]oxepine-2,6(3H,4H)-dione, 11-(Furan-3-yl)-4,4,8a,10a,13b-pentamethyl-3a,8a,8b,9,10,10a,11,12,12a,13b-decahydrooxepino[4,3-d]oxireno[3,3a]indeno[4,5-b]oxepine-2,6(3H,4H)-dione
| Molecular Formula | C26H32O6 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.21988 |
| Heavy Atoms | 32 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 81040-61-1 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)O[C@]3([C@@]15[C@H](O5)C[C@H]2C6=COC=C6)C)(C)C)C |
| InChIKey | GYHNSFKACSFOPS-LREFMIMGSA-N |
Product Overview
Surenolactone (CAS 81040-61-1), with molecular formula C26H32O6 and molecular weight 440.22 g/mol. IUPAC: (1R,2S,8R,12R,13S,15R,17S,18S)-17-(furan-3-yl)-2,7,7,12,18-pentamethyl-6,11,14-trioxapentacyclo[10.8.0.02,8.013,15.013,18]icos-3-ene-5,10-dione.
Chemical Property Profile of Surenolactone
Property Insights of Surenolactone
The XLogP value of 3.7 indicates that Surenolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Surenolactone. Following Lipinski's Rule of Five, Surenolactone has 0 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 Surenolactone?
The CAS number of Surenolactone is 81040-61-1.
What is the molecular formula of Surenolactone?
The molecular formula of Surenolactone is C26H32O6.
What is the molecular weight of Surenolactone?
The molecular weight of Surenolactone is 440.22 g/mol.
Where can I buy Surenolactone?
You can request a quote for Surenolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Surenolactone?
Yes, KEHONG BIO provides custom synthesis services for Surenolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.