Isoporiolide
TL;DR: Isoporiolide (CAS 39262-31-2) is a chemical compound with molecular formula C29H26O12 and molecular weight 566.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione
Also Known As: Isoporiolide, (1,1'-Biphenyl)-3-carboxylic acid, 2,2'-dihydroxy-5'-(7-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-1-benzopyran-2-yl)-, intramol. 3,6'''-ester, (1S,16S,17S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo(19.5.3.12,6.17,11.115,19.024,28)dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione, (1S,16S,17S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione, 5,16,17,18,23,31-Hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione
| Molecular Formula | C29H26O12 |
|---|---|
| Molecular Weight | 566.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 0 |
| Exact Mass | 566.14246 |
| Heavy Atoms | 41 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 39262-31-2 |
|---|---|
| SMILES | CC1=C(C2=C3C=C1O[C@H]4C(C([C@@H](C(O4)COC(=O)C5=CC=CC(=C5O)C6=C(C=CC(=C6)C(O3)CC2=O)O)O)O)O)O |
| InChIKey | ZGRAFMJBVGBGRY-DFGJGPAFSA-N |
Product Overview
Isoporiolide (CAS 39262-31-2), with molecular formula C29H26O12 and molecular weight 566.14 g/mol. IUPAC: (16S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione.
Chemical Property Profile of Isoporiolide
Property Insights of Isoporiolide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoporiolide. The TPSA of 192.0 Ų indicates high polarity, suggesting Isoporiolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoporiolide has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoporiolide?
The CAS number of Isoporiolide is 39262-31-2.
What is the molecular formula of Isoporiolide?
The molecular formula of Isoporiolide is C29H26O12.
What is the molecular weight of Isoporiolide?
The molecular weight of Isoporiolide is 566.14 g/mol.
Where can I buy Isoporiolide?
You can request a quote for Isoporiolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoporiolide?
Yes, KEHONG BIO provides custom synthesis services for Isoporiolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.