3-(Dodecanoylamino)-4-methylbenzoic acid
TL;DR: 3-(Dodecanoylamino)-4-methylbenzoic acid (CAS 79592-79-3) is a chemical compound with molecular formula C20H31NO3 and molecular weight 333.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dodecanoylamino)-4-methylbenzoic acid
Also Known As: 3-(dodecanoylamino)-4-methylbenzoic acid, 3-(n-dodecanamido)-4-methylbenzoic acid, 3-DODECANAMIDO-4-METHYLBENZOIC ACID
| Molecular Formula | C20H31NO3 |
|---|---|
| Molecular Weight | 333.23 g/mol |
| LogP | 5.55262 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 333.2304 |
| Heavy Atoms | 24 |
| Complexity | 525.6153 |
Chemical Identifiers
| CAS Number | 79592-79-3 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)C |
Product Overview
3-(Dodecanoylamino)-4-methylbenzoic acid (CAS 79592-79-3), with molecular formula C20H31NO3 and molecular weight 333.23 g/mol. IUPAC: 3-(dodecanoylamino)-4-methylbenzoic acid.
Chemical Property Profile of 3-(Dodecanoylamino)-4-methylbenzoic acid
Property Insights of 3-(Dodecanoylamino)-4-methylbenzoic acid
The XLogP value of 5.55262 indicates that 3-(Dodecanoylamino)-4-methylbenzoic 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)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(Dodecanoylamino)-4-methylbenzoic acid has 2 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 3-(Dodecanoylamino)-4-methylbenzoic acid?
The CAS number of 3-(Dodecanoylamino)-4-methylbenzoic acid is 79592-79-3.
What is the molecular formula of 3-(Dodecanoylamino)-4-methylbenzoic acid?
The molecular formula of 3-(Dodecanoylamino)-4-methylbenzoic acid is C20H31NO3.
What is the molecular weight of 3-(Dodecanoylamino)-4-methylbenzoic acid?
The molecular weight of 3-(Dodecanoylamino)-4-methylbenzoic acid is 333.23 g/mol.
Where can I buy 3-(Dodecanoylamino)-4-methylbenzoic acid?
You can request a quote for 3-(Dodecanoylamino)-4-methylbenzoic 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)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dodecanoylamino)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.