![N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide structure](/static/products/4288/428836-68-4.webp)
N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide
TL;DR: N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide (CAS 428836-68-4) is a chemical compound with molecular formula C17H19N3OS and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-methyl-2-pyridinyl)carbamothioyl]-4-propan-2-ylbenzamide
Also Known As: AB00109571-01, AP-970/41081837, N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide, N-(4-isopropylbenzoyl)-N'-(3-methyl-2-pyridinyl)thiourea, N-[(3-methylpyridin-2-yl)carbamothioyl]-4-(propan-2-yl)benzamide
| Molecular Formula | C17H19N3OS |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.64022 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.12488 |
| Heavy Atoms | 22 |
| Complexity | 680.55835 |
Chemical Identifiers
| CAS Number | 428836-68-4 |
|---|---|
| SMILES | CC1=C(N=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C |
Product Overview
N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide (CAS 428836-68-4), with molecular formula C17H19N3OS and molecular weight 313.12 g/mol. IUPAC: N-[(3-methyl-2-pyridinyl)carbamothioyl]-4-propan-2-ylbenzamide.
Chemical Property Profile of N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide
Property Insights of N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide
The XLogP value of 3.64022 indicates that N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide has 2 hydrogen bond donor(s) and 3 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 N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide?
The CAS number of N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide is 428836-68-4.
What is the molecular formula of N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide?
The molecular formula of N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide is C17H19N3OS.
What is the molecular weight of N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide?
The molecular weight of N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide is 313.12 g/mol.
Where can I buy N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide?
You can request a quote for N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-methylpyridin-2-yl)carbamothioyl]-4-propan-2-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.