![3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid structure](/static/products/5315/531535-29-2.webp)
3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
TL;DR: 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid (CAS 531535-29-2) 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-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
Also Known As: 2-METHYL-3-[[[[3- BENZOYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid, 3-[(3-butan-2-yloxybenzoyl)thiocarbamoylamino]-2-methyl-benzoic Acid, 2-Methyl-3-[[[[3-(1-methylpropoxy)benzoyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.99732 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 866.81024 |
Chemical Identifiers
| CAS Number | 531535-29-2 |
|---|---|
| SMILES | CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O |
Product Overview
3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid (CAS 531535-29-2), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: 3-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
Property Insights of 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
The XLogP value of 3.99732 indicates that 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-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-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-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-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
The CAS number of 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid is 531535-29-2.
What is the molecular formula of 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
The molecular formula of 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid is C20H22N2O4S.
What is the molecular weight of 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
The molecular weight of 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid is 386.13 g/mol.
Where can I buy 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
You can request a quote for 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-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-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Butan-2-yloxybenzoyl)carbamothioylamino]-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.