11-(乙硫基)十一烷酸
TL;DR: 11-(乙硫基)十一烷酸 (CAS 114019-70-4) is a chemical compound with molecular formula C13H26O2S and molecular weight 246.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(乙硫基)十一烷酸
11-ethylsulfanylundecanoic acid
Also Known As: 11-(Ethylthio)undecanoic acid, 12-Thiamyristic acid, 12-thiatetradecanoic acid, 11-ethylsulfanylundecanoic acid, Undecanoic acid, 11-(ethylthio)-
| Molecular Formula | C13H26O2S |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 246.16534 |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 114019-70-4 |
|---|---|
| SMILES | CCSCCCCCCCCCCC(=O)O |
| InChIKey | YDNFLXXNJDMLOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11-(乙硫基)十一烷酸 (CAS 114019-70-4), with molecular formula C13H26O2S and molecular weight 246.17 g/mol. IUPAC: 11-ethylsulfanylundecanoic acid.
Chemical Property Profile of 11-(乙硫基)十一烷酸
Property Insights of 11-(乙硫基)十一烷酸
The XLogP value of 4.5 indicates that 11-(乙硫基)十一烷酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(乙硫基)十一烷酸. Following Lipinski's Rule of Five, 11-(乙硫基)十一烷酸 has 1 hydrogen bond donor(s) and 3 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 11-(乙硫基)十一烷酸?
The CAS number of 11-(乙硫基)十一烷酸 is 114019-70-4.
What is the molecular formula of 11-(乙硫基)十一烷酸?
The molecular formula of 11-(乙硫基)十一烷酸 is C13H26O2S.
What is the molecular weight of 11-(乙硫基)十一烷酸?
The molecular weight of 11-(乙硫基)十一烷酸 is 246.17 g/mol.
Where can I buy 11-(乙硫基)十一烷酸?
You can request a quote for 11-(乙硫基)十一烷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(乙硫基)十一烷酸?
Yes, KEHONG BIO provides custom synthesis services for 11-(乙硫基)十一烷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.