Neotridecanoic acid
TL;DR: Neotridecanoic acid (CAS 13005-29-3) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylundecanoic acid
Also Known As: 2,2-dimethylundecanoic acid, Neotridecanoic acid, 2,2-Dimethylundecanoicacid, Undecanoic acid,2,2-dimethyl-, 2,2-dimethyl-undecanoic acid
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 13005-29-3 |
|---|---|
| SMILES | CCCCCCCCCC(C)(C)C(=O)O |
| InChIKey | OTOBIMFBDYITLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neotridecanoic acid (CAS 13005-29-3), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: 2,2-dimethylundecanoic acid.
Chemical Property Profile of Neotridecanoic acid
Property Insights of Neotridecanoic acid
The XLogP value of 5.3 indicates that Neotridecanoic 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, Neotridecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neotridecanoic acid has 1 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 Neotridecanoic acid?
The CAS number of Neotridecanoic acid is 13005-29-3.
What is the molecular formula of Neotridecanoic acid?
The molecular formula of Neotridecanoic acid is C13H26O2.
What is the molecular weight of Neotridecanoic acid?
The molecular weight of Neotridecanoic acid is 214.19 g/mol.
Where can I buy Neotridecanoic acid?
You can request a quote for Neotridecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neotridecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for Neotridecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.