N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide
TL;DR: N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide (CAS 288154-73-4) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[(3,4-dimethoxybenzoyl)amino]thiourea
Also Known As: N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide, 1-benzyl-3-[(3,4-dimethoxybenzoyl)amino]thiourea, 3,4-Dimethoxybenzoic acid 2-[[(phenylmethyl)amino]thioxomethyl]hydrazide, N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazine-1-carbothioamide, (3,4-dimethoxyphenyl)-N-({[benzylamino]thioxomethyl}amino)carboxamide
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 288154-73-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NNC(=S)NCC2=CC=CC=C2)OC |
| InChIKey | ABBDYGNALLZFNP-UHFFFAOYSA-N |
Product Overview
N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide (CAS 288154-73-4), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: 1-benzyl-3-[(3,4-dimethoxybenzoyl)amino]thiourea.
Chemical Property Profile of N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide
Property Insights of N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide. Following Lipinski's Rule of Five, N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide has 3 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 N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide?
The CAS number of N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide is 288154-73-4.
What is the molecular formula of N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide?
The molecular formula of N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide is C17H19N3O3S.
What is the molecular weight of N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide?
The molecular weight of N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide is 345.11 g/mol.
Where can I buy N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide?
You can request a quote for N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-2-(3,4-dimethoxybenzoyl)hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.