3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
TL;DR: 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide (CAS 335213-08-6) is a chemical compound with molecular formula C16H17N3OS and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Also Known As: BAS 02818343, 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide, 3,4-dimethyl-N-[(pyridin-3-ylmethyl)carbamothioyl]benzamide, 1-(3,4-Dimethyl-benzoyl)-3-pyridin-3-ylmethyl-thiourea, N-(3,4-dimethylbenzoyl)-N'-(3-pyridinylmethyl)thiourea
| Molecular Formula | C16H17N3OS |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 2.50294 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.10922 |
| Heavy Atoms | 21 |
| Complexity | 655.8266 |
Chemical Identifiers
| CAS Number | 335213-08-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)C |
Product Overview
3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide (CAS 335213-08-6), with molecular formula C16H17N3OS and molecular weight 299.11 g/mol. IUPAC: 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide.
Chemical Property Profile of 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Property Insights of 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide
The XLogP value of 2.50294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide. With a topological polar surface area (TPSA) of 54.02 Ų, 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide 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 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The CAS number of 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 335213-08-6.
What is the molecular formula of 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular formula of 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is C16H17N3OS.
What is the molecular weight of 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular weight of 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 299.11 g/mol.
Where can I buy 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
You can request a quote for 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.