3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid
TL;DR: 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid (CAS 435291-31-9) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-butoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-(3-(4-butoxybenzoyl)thioureido)-2-methylbenzoic acid, 3-[(4-butoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid, 3-[(4-butoxybenzoyl)thiocarbamoylamino]-2-methyl-benzoic Acid, 3-[[[ AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOICACID, 3-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.99892 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 834.3754 |
Chemical Identifiers
| CAS Number | 435291-31-9 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O |
Product Overview
3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid (CAS 435291-31-9), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: 3-[(4-butoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid
Property Insights of 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid
The XLogP value of 3.99892 indicates that 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid has 3 hydrogen bond donor(s) and 4 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-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid?
The CAS number of 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid is 435291-31-9.
What is the molecular formula of 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid?
The molecular formula of 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid is C20H22N2O4S.
What is the molecular weight of 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid?
The molecular weight of 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid is 386.13 g/mol.
Where can I buy 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid?
You can request a quote for 3-(3-(4-Butoxybenzoyl)thioureido)-2-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-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(4-Butoxybenzoyl)thioureido)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.