Vesiculosin
TL;DR: Vesiculosin (CAS 96935-20-5) 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.
[5,6,11,14-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-15-yl] (2E,4E)-deca-2,4-dienoate
Also Known As: Vesiculosin, VESCULOSIN (B671071K103), B671071K103, [5,6,11,14-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-15-yl] (2E,4E)-deca-2,4-dienoate, (5,6,11,14-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-15-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 | 96935-20-5 |
|---|---|
| SMILES | CCCCC/C=C/C=C/C(=O)OC1C2C3C(O3)(C(C4(C(C2(C(CC1(C(=C)C)O)C)O)C=C(C4=O)C)O)O)CO |
Product Overview
Vesiculosin (CAS 96935-20-5), with molecular formula C30H42O9 and molecular weight 546.28 g/mol. IUPAC: [5,6,11,14-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-15-yl] (2E,4E)-deca-2,4-dienoate.
Chemical Property Profile of Vesiculosin
Property Insights of Vesiculosin
The XLogP value of 1.6659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vesiculosin. The TPSA of 157.05 Ų indicates high polarity, suggesting Vesiculosin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vesiculosin 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 Vesiculosin?
The CAS number of Vesiculosin is 96935-20-5.
What is the molecular formula of Vesiculosin?
The molecular formula of Vesiculosin is C30H42O9.
What is the molecular weight of Vesiculosin?
The molecular weight of Vesiculosin is 546.28 g/mol.
Where can I buy Vesiculosin?
You can request a quote for Vesiculosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vesiculosin?
Yes, KEHONG BIO provides custom synthesis services for Vesiculosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.