3-氧代十二烷酸
TL;DR: 3-氧代十二烷酸 (CAS 61058-75-1) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氧代十二烷酸
3-oxododecanoic acid
Also Known As: 3-Oxododecanoic acid, 3-oxolauric acid, 3-Oxododecanoate, 3-oxo-dodecanoic acid, 3-Ketolauric acid
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 61058-75-1 |
|---|---|
| SMILES | CCCCCCCCCC(=O)CC(=O)O |
| InChIKey | DZHSPYMHDVROSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氧代十二烷酸 (CAS 61058-75-1), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: 3-oxododecanoic acid.
Chemical Property Profile of 3-氧代十二烷酸
Property Insights of 3-氧代十二烷酸
The XLogP value of 3.7 indicates that 3-氧代十二烷酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-氧代十二烷酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氧代十二烷酸 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 3-氧代十二烷酸?
The CAS number of 3-氧代十二烷酸 is 61058-75-1.
What is the molecular formula of 3-氧代十二烷酸?
The molecular formula of 3-氧代十二烷酸 is C12H22O3.
What is the molecular weight of 3-氧代十二烷酸?
The molecular weight of 3-氧代十二烷酸 is 214.16 g/mol.
Where can I buy 3-氧代十二烷酸?
You can request a quote for 3-氧代十二烷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代十二烷酸?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代十二烷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.