12-Mercaptododecanoic acid
TL;DR: 12-Mercaptododecanoic acid (CAS 82001-53-4) is a chemical compound with molecular formula C12H24O2S and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-sulfanyldodecanoic acid
Also Known As: 12-Mercaptododecanoic acid, 12-Sulfanyldodecanoic acid, Dodecanoic acid, 12-mercapto-, 12-Mercaptododecanoicacid, 12-Sulfanyldodecanoic acid #
| Molecular Formula | C12H24O2S |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 232.1497 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 82001-53-4 |
|---|---|
| SMILES | C(CCCCCC(=O)O)CCCCCS |
| InChIKey | SDAWVOFJSUUKMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-Mercaptododecanoic acid (CAS 82001-53-4), with molecular formula C12H24O2S and molecular weight 232.15 g/mol. IUPAC: 12-sulfanyldodecanoic acid.
Chemical Property Profile of 12-Mercaptododecanoic acid
Property Insights of 12-Mercaptododecanoic acid
The XLogP value of 4.6 indicates that 12-Mercaptododecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 12-Mercaptododecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Mercaptododecanoic acid has 2 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 12-Mercaptododecanoic acid?
The CAS number of 12-Mercaptododecanoic acid is 82001-53-4.
What is the molecular formula of 12-Mercaptododecanoic acid?
The molecular formula of 12-Mercaptododecanoic acid is C12H24O2S.
What is the molecular weight of 12-Mercaptododecanoic acid?
The molecular weight of 12-Mercaptododecanoic acid is 232.15 g/mol.
Where can I buy 12-Mercaptododecanoic acid?
You can request a quote for 12-Mercaptododecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Mercaptododecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 12-Mercaptododecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.