![3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide structure](/static/products/497/497091-57-3.png)
3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
TL;DR: 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide (CAS 497091-57-3) is a chemical compound with molecular formula C20H22BrN3O3S2 and molecular weight 495.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
Also Known As: AN-329/41561835, 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide, 3-bromo-4-methyl-N-{[4-(piperidin-1-ylsulfonyl)phenyl]carbamothioyl}benzamide, 3-bromo-4-methyl-N-({[4-(1-piperidinylsulfonyl)phenyl]amino}carbonothioyl)benzamide, N-(3-bromo-4-methylbenzoyl)-N'-[4-(piperidin-1-ylsulfonyl)phenyl]thiourea
| Molecular Formula | C20H22BrN3O3S2 |
|---|---|
| Molecular Weight | 495.03 g/mol |
| LogP | 4.05892 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.0286 |
| Heavy Atoms | 29 |
| Complexity | 1017.76697 |
Chemical Identifiers
| CAS Number | 497091-57-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br |
Product Overview
3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide (CAS 497091-57-3), with molecular formula C20H22BrN3O3S2 and molecular weight 495.03 g/mol. IUPAC: 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
Property Insights of 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
The XLogP value of 4.05892 indicates that 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide has 2 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-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide?
The CAS number of 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide is 497091-57-3.
What is the molecular formula of 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide?
The molecular formula of 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide is C20H22BrN3O3S2.
What is the molecular weight of 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide?
The molecular weight of 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide is 495.03 g/mol.
Where can I buy 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide?
You can request a quote for 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.