Isovesiculosin
TL;DR: Isovesiculosin (CAS 96935-22-7) is a chemical compound with molecular formula C30H42O9 and molecular weight 546.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,6,11,15-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-14-yl] (2E,4E)-deca-2,4-dienoate
Also Known As: Isovesiculosin, VESCULOSIN, ISO (B671071K104), B671071F104, [5,6,11,15-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-14-yl] (2E,4E)-deca-2,4-dienoate, (5,6,11,15-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo(9.4.0.02,4.06,10)pentadec-8-en-14-yl) (2E,4E)-deca-2,4-dienoate
| Molecular Formula | C30H42O9 |
|---|---|
| Molecular Weight | 546.28 g/mol |
| LogP | 1.6659 |
| Topological Polar Surface Area | 157.05 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.2829 |
| Heavy Atoms | 39 |
| Complexity | 1109.7122 |
Chemical Identifiers
| CAS Number | 96935-22-7 |
|---|---|
| SMILES | CCCCC/C=C/C=C/C(=O)OC1(CC(C2(C3C=C(C(=O)C3(C(C4(C(C2C1O)O4)CO)O)O)C)O)C)C(=C)C |
Product Overview
Isovesiculosin (CAS 96935-22-7), with molecular formula C30H42O9 and molecular weight 546.28 g/mol. IUPAC: [5,6,11,15-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-14-yl] (2E,4E)-deca-2,4-dienoate.
Chemical Property Profile of Isovesiculosin
Property Insights of Isovesiculosin
The XLogP value of 1.6659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isovesiculosin. The TPSA of 157.05 Ų indicates high polarity, suggesting Isovesiculosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isovesiculosin has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isovesiculosin?
The CAS number of Isovesiculosin is 96935-22-7.
What is the molecular formula of Isovesiculosin?
The molecular formula of Isovesiculosin is C30H42O9.
What is the molecular weight of Isovesiculosin?
The molecular weight of Isovesiculosin is 546.28 g/mol.
Where can I buy Isovesiculosin?
You can request a quote for Isovesiculosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovesiculosin?
Yes, KEHONG BIO provides custom synthesis services for Isovesiculosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.