8-(3-Octylthiiran-2-yl)octanoic acid
TL;DR: 8-(3-Octylthiiran-2-yl)octanoic acid (CAS 3075-89-6) is a chemical compound with molecular formula C18H34O2S and molecular weight 314.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-octylthiiran-2-yl)octanoic acid
Also Known As: 8-(3-octylthiiran-2-yl)octanoic acid, 9,10-epithiostearic acid, theta, iota-Epithiostearic acid, 2-Thiiraneoctanoicacid,3-octyl, 2-Thiiraneoctanoicacid, 3-octyl-
| Molecular Formula | C18H34O2S |
|---|---|
| Molecular Weight | 314.23 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 314.22797 |
| Heavy Atoms | 21 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 3075-89-6 |
|---|---|
| SMILES | CCCCCCCCC1C(S1)CCCCCCCC(=O)O |
| InChIKey | DHJUGHFMUPDPHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(3-Octylthiiran-2-yl)octanoic acid (CAS 3075-89-6), with molecular formula C18H34O2S and molecular weight 314.23 g/mol. IUPAC: 8-(3-octylthiiran-2-yl)octanoic acid.
Chemical Property Profile of 8-(3-Octylthiiran-2-yl)octanoic acid
Property Insights of 8-(3-Octylthiiran-2-yl)octanoic acid
The XLogP value of 6.9 indicates that 8-(3-Octylthiiran-2-yl)octanoic acid 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 8-(3-Octylthiiran-2-yl)octanoic acid. Following Lipinski's Rule of Five, 8-(3-Octylthiiran-2-yl)octanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(3-Octylthiiran-2-yl)octanoic acid?
The CAS number of 8-(3-Octylthiiran-2-yl)octanoic acid is 3075-89-6.
What is the molecular formula of 8-(3-Octylthiiran-2-yl)octanoic acid?
The molecular formula of 8-(3-Octylthiiran-2-yl)octanoic acid is C18H34O2S.
What is the molecular weight of 8-(3-Octylthiiran-2-yl)octanoic acid?
The molecular weight of 8-(3-Octylthiiran-2-yl)octanoic acid is 314.23 g/mol.
Where can I buy 8-(3-Octylthiiran-2-yl)octanoic acid?
You can request a quote for 8-(3-Octylthiiran-2-yl)octanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3-Octylthiiran-2-yl)octanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-Octylthiiran-2-yl)octanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.