![3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide structure](/static/products/3647/364746-92-9.webp)
3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide
TL;DR: 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide (CAS 364746-92-9) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide
Also Known As: 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide, AB00111323-01, 1-(2-METHYL-4-NITROPHENYL)-3-(3-METHYLBUTANOYL)THIOUREA
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 2.76232 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 543.66296 |
Chemical Identifiers
| CAS Number | 364746-92-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)CC(C)C |
Product Overview
3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide (CAS 364746-92-9), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide.
Chemical Property Profile of 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide
Property Insights of 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide
The XLogP value of 2.76232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide. Following Lipinski's Rule of Five, 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide 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-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide?
The CAS number of 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide is 364746-92-9.
What is the molecular formula of 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide?
The molecular formula of 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide is C13H17N3O3S.
What is the molecular weight of 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide?
The molecular weight of 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide is 295.10 g/mol.
Where can I buy 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide?
You can request a quote for 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.