2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide
TL;DR: 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide (CAS 428857-40-3) is a chemical compound with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide
Also Known As: 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide, AB00111380-01, 3-(2-METHYL-3-NITROBENZOYL)-1-PHENYLTHIOUREA
| Molecular Formula | C15H13N3O3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.03002 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.06775 |
| Heavy Atoms | 22 |
| Complexity | 732.06744 |
Chemical Identifiers
| CAS Number | 428857-40-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=CC=C2 |
Product Overview
2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide (CAS 428857-40-3), with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol. IUPAC: 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide.
Chemical Property Profile of 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide
Property Insights of 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide
The XLogP value of 3.03002 indicates that 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 2-methyl-3-nitro-N-(phenylcarbamothioyl)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 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide?
The CAS number of 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide is 428857-40-3.
What is the molecular formula of 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide?
The molecular formula of 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide is C15H13N3O3S.
What is the molecular weight of 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide?
The molecular weight of 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide is 315.07 g/mol.
Where can I buy 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide?
You can request a quote for 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-nitro-N-(phenylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.