Methyl trisporate B
TL;DR: Methyl trisporate B (CAS 16981-58-1) is a chemical compound with molecular formula C19H26O4 and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxoocta-1,3-dienyl]-4-oxocyclohex-2-ene-1-carboxylate
Also Known As: Methyl trisporate B, (9Z)-methyl trisporate B, methyl 1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxoocta-1,3-dienyl]-4-oxocyclohex-2-ene-1-carboxylate, 2-Cyclohexene-1-carboxylic acid, 1,3-dimethyl-2-(3-methyl-7-oxo-1,3-oc tadienyl)-4-oxo-, methyl este, 2-Cyclohexene-1-carboxylic acid, 1,3-dimethyl-2-(3-methyl-7-oxo-1,3-octadienyl)-4-oxo-, methyl ester, (+)-
| Molecular Formula | C19H26O4 |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 3.7168 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.1831 |
| Heavy Atoms | 23 |
| Complexity | 592.49084 |
Chemical Identifiers
| CAS Number | 16981-58-1 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C(=O)OC)/C=C/C(=C/CCC(=O)C)/C |
Product Overview
Methyl trisporate B (CAS 16981-58-1), with molecular formula C19H26O4 and molecular weight 318.18 g/mol. IUPAC: methyl 1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxoocta-1,3-dienyl]-4-oxocyclohex-2-ene-1-carboxylate.
Chemical Property Profile of Methyl trisporate B
Property Insights of Methyl trisporate B
The XLogP value of 3.7168 indicates that Methyl trisporate B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl trisporate B. Following Lipinski's Rule of Five, Methyl trisporate B has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl trisporate B?
The CAS number of Methyl trisporate B is 16981-58-1.
What is the molecular formula of Methyl trisporate B?
The molecular formula of Methyl trisporate B is C19H26O4.
What is the molecular weight of Methyl trisporate B?
The molecular weight of Methyl trisporate B is 318.18 g/mol.
Where can I buy Methyl trisporate B?
You can request a quote for Methyl trisporate B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl trisporate B?
Yes, KEHONG BIO provides custom synthesis services for Methyl trisporate B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.