Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate
TL;DR: Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate (CAS 1975146-87-2) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (E)-5,11-dihydroxy-3,7,11-trimethyldodec-2-enoate
Also Known As: Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate, Isopropyl (2E)-5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate #, Propan-2-yl (2E)-5,11-dihydroxy-3,7,11-trimethyldodec-2-enoate, propan-2-yl (E)-5,11-dihydroxy-3,7,11-trimethyldodec-2-enoate
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 3.6027 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 352.58887 |
Chemical Identifiers
| CAS Number | 1975146-87-2 |
|---|---|
| SMILES | CC(C)OC(=O)/C=C(\C)/CC(CC(C)CCCC(C)(C)O)O |
Product Overview
Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate (CAS 1975146-87-2), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: propan-2-yl (E)-5,11-dihydroxy-3,7,11-trimethyldodec-2-enoate.
Chemical Property Profile of Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate
Property Insights of Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate
The XLogP value of 3.6027 indicates that Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate. Following Lipinski's Rule of Five, Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate has 2 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 Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate?
The CAS number of Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate is 1975146-87-2.
What is the molecular formula of Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate?
The molecular formula of Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate is C18H34O4.
What is the molecular weight of Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate?
The molecular weight of Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate is 314.25 g/mol.
Where can I buy Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate?
You can request a quote for Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 5,11-dihydroxy-3,7,11-trimethyl-2-dodecenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.