12-氧代十三酸
TL;DR: 12-氧代十三酸 (CAS 2345-12-2) is a chemical compound with molecular formula C13H24O3 and molecular weight 228.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-氧代十三酸
12-oxotridecanoic acid
Also Known As: 12-Oxotridecanoic acid, 12-Ketotridecanoic acid, 12-keto tridecanoic acid, 12-oxotridecanoicacid, 12-oxo-tridecanoic acid
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 2345-12-2 |
|---|---|
| SMILES | CC(=O)CCCCCCCCCCC(=O)O |
| InChIKey | NRVDTUOVKXZNCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
12-氧代十三酸 (CAS 2345-12-2), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: 12-oxotridecanoic acid.
Chemical Property Profile of 12-氧代十三酸
Property Insights of 12-氧代十三酸
The XLogP value of 3.6 indicates that 12-氧代十三酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 12-氧代十三酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-氧代十三酸 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 12-氧代十三酸?
The CAS number of 12-氧代十三酸 is 2345-12-2.
What is the molecular formula of 12-氧代十三酸?
The molecular formula of 12-氧代十三酸 is C13H24O3.
What is the molecular weight of 12-氧代十三酸?
The molecular weight of 12-氧代十三酸 is 228.17 g/mol.
Where can I buy 12-氧代十三酸?
You can request a quote for 12-氧代十三酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-氧代十三酸?
Yes, KEHONG BIO provides custom synthesis services for 12-氧代十三酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.