Isobaccharin
TL;DR: Isobaccharin (CAS 61251-97-6) is a chemical compound with molecular formula C29H38O11 and molecular weight 562.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-hydroxy-19-(1-hydroxyethyl)-6,15,27-trimethylspiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione
Also Known As: Isobaccharin, Baccharin, Verrucarin A, 7'-deoxo-2'-deoxy-2',3'_9,10-diepoxy-9,10-dihy
| Molecular Formula | C29H38O11 |
|---|---|
| Molecular Weight | 562.24 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 1 |
| Exact Mass | 562.2414 |
| Heavy Atoms | 40 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 61251-97-6 |
|---|---|
| SMILES | CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O |
| InChIKey | DGBITFNXKQHKLI-UHFFFAOYSA-N |
Product Overview
Isobaccharin (CAS 61251-97-6), with molecular formula C29H38O11 and molecular weight 562.24 g/mol. IUPAC: 16-hydroxy-19-(1-hydroxyethyl)-6,15,27-trimethylspiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione.
Chemical Property Profile of Isobaccharin
Property Insights of Isobaccharin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobaccharin. The TPSA of 149.0 Ų indicates high polarity, suggesting Isobaccharin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isobaccharin 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 Isobaccharin?
The CAS number of Isobaccharin is 61251-97-6.
What is the molecular formula of Isobaccharin?
The molecular formula of Isobaccharin is C29H38O11.
What is the molecular weight of Isobaccharin?
The molecular weight of Isobaccharin is 562.24 g/mol.
Where can I buy Isobaccharin?
You can request a quote for Isobaccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobaccharin?
Yes, KEHONG BIO provides custom synthesis services for Isobaccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.