![N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide structure](/static/products/695/695205-96-0.png)
N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide (CAS 695205-96-0) is a chemical compound with molecular formula C19H19N3O7S and molecular weight 433.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide
Also Known As: A3531/0149558, N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide, N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]-piperonylamide, Benzo[1,3]dioxole-5-carboxylic acid [N'-(3,4,5-trimethoxy-benzoyl)-hydrazinocarbothioyl]-amide, N-(2-(3,4,5-trimethoxybenzoyl)hydrazinecarbonothioyl)benzo[d][1,3]dioxole-5-carboxamide
| Molecular Formula | C19H19N3O7S |
|---|---|
| Molecular Weight | 433.09 g/mol |
| LogP | 1.3904 |
| Topological Polar Surface Area | 116.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.09436 |
| Heavy Atoms | 30 |
| Complexity | 971.0836 |
Chemical Identifiers
| CAS Number | 695205-96-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide (CAS 695205-96-0), with molecular formula C19H19N3O7S and molecular weight 433.09 g/mol. IUPAC: N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 1.3904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide. The TPSA of 116.38 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide has 3 hydrogen bond donor(s) and 8 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-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide is 695205-96-0.
What is the molecular formula of N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide is C19H19N3O7S.
What is the molecular weight of N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide is 433.09 g/mol.
Where can I buy N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.