3-Thiatetradecanoic Acid
TL;DR: 3-Thiatetradecanoic Acid (CAS 116296-78-7) 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.
2-undecylsulfanylacetic acid
Also Known As: 3-Thiatetradecanoic Acid, 2-undecylsulfanylacetic Acid, (undecylthio)-acetic acid, 3-TDA, 2-undecylthioacetic acid
| Molecular Formula | C13H26O2S |
|---|---|
| Molecular Weight | 246.17 g/mol |
| LogP | 4.335 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 246.16534 |
| Heavy Atoms | 16 |
| Complexity | 160.01158 |
Chemical Identifiers
| CAS Number | 116296-78-7 |
|---|---|
| SMILES | CCCCCCCCCCCSCC(=O)O |
Product Overview
3-Thiatetradecanoic Acid (CAS 116296-78-7), with molecular formula C13H26O2S and molecular weight 246.17 g/mol. IUPAC: 2-undecylsulfanylacetic acid.
Chemical Property Profile of 3-Thiatetradecanoic Acid
Property Insights of 3-Thiatetradecanoic Acid
The XLogP value of 4.335 indicates that 3-Thiatetradecanoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Thiatetradecanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiatetradecanoic Acid has 1 hydrogen bond donor(s) and 2 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 3-Thiatetradecanoic Acid?
The CAS number of 3-Thiatetradecanoic Acid is 116296-78-7.
What is the molecular formula of 3-Thiatetradecanoic Acid?
The molecular formula of 3-Thiatetradecanoic Acid is C13H26O2S.
What is the molecular weight of 3-Thiatetradecanoic Acid?
The molecular weight of 3-Thiatetradecanoic Acid is 246.17 g/mol.
Where can I buy 3-Thiatetradecanoic Acid?
You can request a quote for 3-Thiatetradecanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiatetradecanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiatetradecanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.