Sergiolide
TL;DR: Sergiolide (CAS 82290-17-3) is a chemical compound with molecular formula C25H28O11 and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10-acetyloxy-3,4-dihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.02,8.05,9.08,13.017,21]docosa-17,21-diene-5-carboxylate
Also Known As: Sergeolide, Sergiolide, New quassinoid sergeolide, methyl 4-(acetyloxy)-1,2-dihydroxy-8,12a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,8,10,12a,12b-decahydro-2h-3,12c-(epoxymethano)benzo[de][1]benzofuro[6,5-g]chromene-3(3ah)-carboxylate, 3,10H-furo[3,4-c]furo[2',3':6,7]naphtho[2,3-b] pyran-3(3aH)-carboxylic acid, 4-(acetyloxy)-4,5,6a,7,7a,8, 12a,13-octahydro-14,15-dihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, (3S,3aS,4R,6aR,7aS,8S,12aS,13R,13aR,14R,15S)-
| Molecular Formula | C25H28O11 |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 504.16315 |
| Heavy Atoms | 36 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 82290-17-3 |
|---|---|
| SMILES | CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC |
| InChIKey | ZZKFDOQILIXHHH-UHFFFAOYSA-N |
Product Overview
Sergiolide (CAS 82290-17-3), with molecular formula C25H28O11 and molecular weight 504.16 g/mol. IUPAC: methyl 10-acetyloxy-3,4-dihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.02,8.05,9.08,13.017,21]docosa-17,21-diene-5-carboxylate.
Chemical Property Profile of Sergiolide
Property Insights of Sergiolide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sergiolide. The TPSA of 155.0 Ų indicates high polarity, suggesting Sergiolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sergiolide has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sergiolide?
The CAS number of Sergiolide is 82290-17-3.
What is the molecular formula of Sergiolide?
The molecular formula of Sergiolide is C25H28O11.
What is the molecular weight of Sergiolide?
The molecular weight of Sergiolide is 504.16 g/mol.
Where can I buy Sergiolide?
You can request a quote for Sergiolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sergiolide?
Yes, KEHONG BIO provides custom synthesis services for Sergiolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.