Tiglic acid chloride, reaction product with citronellol and geraniol
TL;DR: Tiglic acid chloride, reaction product with citronellol and geraniol (CAS 73018-41-4) is a chemical compound with molecular formula C25H40O4 and molecular weight 404.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-[(2E)-3,7-dimethylocta-2,6-dienyl] 4-O-[(3R)-3,7-dimethyloct-6-enyl] (E)-2-methylbut-2-enedioate
Also Known As: Tiglic acid chloride, reaction product with citronellol and geraniol, 2-Butenoic acid, 2-methyl-, (2E)-, mixed (2E)-3,7-dimethyl-2,6-octadienyl and 3,7-dimethyl-6-octenyl esters, 2-Butenoic acid, 2-methyl-, (2E)-, mixed (2E)-3,7-dimethyl-2,6-octadien-1-yl and 3,7-dimethyl-6-octen-1-yl esters, 2-Butenoic acid, 2-methyl-, (E)-, mixed (E)-3,7-dimethyl-2,6-octadienyl and 3,7-dimethyl-6-octenyl esters, 1-O-[(2E)-3,7-dimethylocta-2,6-dienyl] 4-O-[(3R)-3,7-dimethyloct-6-enyl] (E)-2-methylbut-2-enedioate
| Molecular Formula | C25H40O4 |
|---|---|
| Molecular Weight | 404.29 g/mol |
| LogP | 6.4844 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 404.29266 |
| Heavy Atoms | 29 |
| Complexity | 627.2088 |
Chemical Identifiers
| CAS Number | 73018-41-4 |
|---|---|
| SMILES | C[C@H](CCC=C(C)C)CCOC(=O)/C=C(\C)/C(=O)OC/C=C(\C)/CCC=C(C)C |
Product Overview
Tiglic acid chloride, reaction product with citronellol and geraniol (CAS 73018-41-4), with molecular formula C25H40O4 and molecular weight 404.29 g/mol. IUPAC: 1-O-[(2E)-3,7-dimethylocta-2,6-dienyl] 4-O-[(3R)-3,7-dimethyloct-6-enyl] (E)-2-methylbut-2-enedioate.
Chemical Property Profile of Tiglic acid chloride, reaction product with citronellol and geraniol
Property Insights of Tiglic acid chloride, reaction product with citronellol and geraniol
The XLogP value of 6.4844 indicates that Tiglic acid chloride, reaction product with citronellol and geraniol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Tiglic acid chloride, reaction product with citronellol and geraniol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tiglic acid chloride, reaction product with citronellol and geraniol has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tiglic acid chloride, reaction product with citronellol and geraniol?
The CAS number of Tiglic acid chloride, reaction product with citronellol and geraniol is 73018-41-4.
What is the molecular formula of Tiglic acid chloride, reaction product with citronellol and geraniol?
The molecular formula of Tiglic acid chloride, reaction product with citronellol and geraniol is C25H40O4.
What is the molecular weight of Tiglic acid chloride, reaction product with citronellol and geraniol?
The molecular weight of Tiglic acid chloride, reaction product with citronellol and geraniol is 404.29 g/mol.
Where can I buy Tiglic acid chloride, reaction product with citronellol and geraniol?
You can request a quote for Tiglic acid chloride, reaction product with citronellol and geraniol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiglic acid chloride, reaction product with citronellol and geraniol?
Yes, KEHONG BIO provides custom synthesis services for Tiglic acid chloride, reaction product with citronellol and geraniol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.