![3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide structure](/static/products/817/817563-65-8.png)
3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
TL;DR: 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide (CAS 817563-65-8) is a chemical compound with molecular formula C21H23BrN4O3S and molecular weight 490.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
Also Known As: 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide, 3-bromo-4-methyl-N-({2-[4-(pentanoylamino)benzoyl]hydrazino}carbonothioyl)benzamide, 3-bromo-4-methyl-N-[(2-{[4-(pentanoylamino)phenyl]carbonyl}hydrazinyl)carbonothioyl]benzamide, 3-BROMO-4-METHYL-N~1~-({2-[4-(PENTANOYLAMINO)BENZOYL]HYDRAZINO}CARBOTHIOYL)BENZAMIDE
| Molecular Formula | C21H23BrN4O3S |
|---|---|
| Molecular Weight | 490.07 g/mol |
| LogP | 3.83552 |
| Topological Polar Surface Area | 99.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.0674 |
| Heavy Atoms | 30 |
| Complexity | 947.7677 |
Chemical Identifiers
| CAS Number | 817563-65-8 |
|---|---|
| SMILES | CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)Br |
Product Overview
3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide (CAS 817563-65-8), with molecular formula C21H23BrN4O3S and molecular weight 490.07 g/mol. IUPAC: 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide.
Chemical Property Profile of 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
Property Insights of 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
The XLogP value of 3.83552 indicates that 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide has 4 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-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide?
The CAS number of 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide is 817563-65-8.
What is the molecular formula of 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide?
The molecular formula of 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide is C21H23BrN4O3S.
What is the molecular weight of 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide?
The molecular weight of 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide is 490.07 g/mol.
Where can I buy 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide?
You can request a quote for 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]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-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.