(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate
TL;DR: (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate (CAS 1112-99-8) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] formate
Also Known As: (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, 3-formate, (3S)-
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 1112-99-8 |
|---|---|
| SMILES | CC(=CCCC(=CCC[C@@](C)(C=C)OC=O)C)C |
| InChIKey | GJPVEZJRYIBIOD-MRXNPFEDSA-N |
Product Overview
(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate (CAS 1112-99-8), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] formate.
Chemical Property Profile of (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate
Property Insights of (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate
The XLogP value of 5.2 indicates that (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate?
The CAS number of (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate is 1112-99-8.
What is the molecular formula of (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate?
The molecular formula of (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate is C16H26O2.
What is the molecular weight of (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate?
The molecular weight of (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate is 250.19 g/mol.
Where can I buy (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate?
You can request a quote for (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.