3-Dodecanoylamino-benzoic acid
TL;DR: 3-Dodecanoylamino-benzoic acid (CAS 79564-74-2) is a chemical compound with molecular formula C19H29NO3 and molecular weight 319.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dodecanoylamino)benzoic acid
Also Known As: 3-(Dodecanoylamino)benzoic acid, 3-dodecanamidobenzoic acid, 3-Lauramidobenzoic acid, 3-dodecanamidobenzoicacid, 3-Dodecanoylamino-benzoic acid
| Molecular Formula | C19H29NO3 |
|---|---|
| Molecular Weight | 319.21 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 319.21475 |
| Heavy Atoms | 23 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 79564-74-2 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(=O)O |
| InChIKey | VIUQAJGCGOXPGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Dodecanoylamino-benzoic acid (CAS 79564-74-2), with molecular formula C19H29NO3 and molecular weight 319.21 g/mol. IUPAC: 3-(dodecanoylamino)benzoic acid.
Chemical Property Profile of 3-Dodecanoylamino-benzoic acid
Property Insights of 3-Dodecanoylamino-benzoic acid
The XLogP value of 6.5 indicates that 3-Dodecanoylamino-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Dodecanoylamino-benzoic acid. Following Lipinski's Rule of Five, 3-Dodecanoylamino-benzoic acid has 2 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 3-Dodecanoylamino-benzoic acid?
The CAS number of 3-Dodecanoylamino-benzoic acid is 79564-74-2.
What is the molecular formula of 3-Dodecanoylamino-benzoic acid?
The molecular formula of 3-Dodecanoylamino-benzoic acid is C19H29NO3.
What is the molecular weight of 3-Dodecanoylamino-benzoic acid?
The molecular weight of 3-Dodecanoylamino-benzoic acid is 319.21 g/mol.
Where can I buy 3-Dodecanoylamino-benzoic acid?
You can request a quote for 3-Dodecanoylamino-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dodecanoylamino-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Dodecanoylamino-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.