Propan-2-yl 4,8,12-trimethyltridecanoate
TL;DR: Propan-2-yl 4,8,12-trimethyltridecanoate (CAS 101409-99-8) is a chemical compound with molecular formula C19H38O2 and molecular weight 298.28717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 4,8,12-trimethyltridecanoate
Also Known As: Propan-2-yl 4,8,12-trimethyltridecanoate, (5R,8R,9S,10R,13S,14S,17R)-17-Ethynyl-5,17-dihydroxy-13-methyl-hexadecahydro-cyclopenta[a]phenanthren-3-one
Technical Specifications
| Molecular Formula | C19H38O2 |
| Molecular Weight | 298.28717 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 298.28717 Da |
| Heavy Atoms | 21 |
| Complexity | 258.0 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCC(=O)OC(C)C |
| InChIKey | FSSVDPOQVYBAGW-UHFFFAOYSA-N |
Chemical Property Profile of Propan-2-yl 4,8,12-trimethyltridecanoate
Property Insights of Propan-2-yl 4,8,12-trimethyltridecanoate
The XLogP value of 7.4 indicates that Propan-2-yl 4,8,12-trimethyltridecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propan-2-yl 4,8,12-trimethyltridecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 4,8,12-trimethyltridecanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Propan-2-yl 4,8,12-trimethyltridecanoate?
The CAS number of Propan-2-yl 4,8,12-trimethyltridecanoate is 101409-99-8.
What is the molecular formula of Propan-2-yl 4,8,12-trimethyltridecanoate?
The molecular formula of Propan-2-yl 4,8,12-trimethyltridecanoate is C19H38O2.
What is the molecular weight of Propan-2-yl 4,8,12-trimethyltridecanoate?
The molecular weight of Propan-2-yl 4,8,12-trimethyltridecanoate is 298.28717 g/mol.
Where can I buy Propan-2-yl 4,8,12-trimethyltridecanoate?
You can request a quote for Propan-2-yl 4,8,12-trimethyltridecanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propan-2-yl 4,8,12-trimethyltridecanoate?
Yes, CoreyChem provides custom synthesis services for Propan-2-yl 4,8,12-trimethyltridecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.