![1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea structure](/static/products/891/891408-05-2.png)
1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
TL;DR: 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea (CAS 891408-05-2) is a chemical compound with molecular formula C17H18N4O6S and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
Also Known As: 1-(4-nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea, 4-(4-NITROPHENYL)-1-(3,4,5-TRIMETHOXYBENZOYL)THIOSEMICARBAZIDE, 3,4,5-trimethoxy-N-{[(4-nitrophenyl)carbamothioyl]amino}benzamide, N-(4-nitrophenyl)-2-(3,4,5-trimethoxybenzoyl)-1-hydrazinecarbothioamide
| Molecular Formula | C17H18N4O6S |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.252 |
| Topological Polar Surface Area | 123.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.0947 |
| Heavy Atoms | 28 |
| Complexity | 862.7115 |
Chemical Identifiers
| CAS Number | 891408-05-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea (CAS 891408-05-2), with molecular formula C17H18N4O6S and molecular weight 406.09 g/mol. IUPAC: 1-(4-nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea.
Chemical Property Profile of 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
Property Insights of 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
The XLogP value of 2.252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea. The TPSA of 123.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea has 3 hydrogen bond donor(s) and 7 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 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea?
The CAS number of 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea is 891408-05-2.
What is the molecular formula of 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea?
The molecular formula of 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea is C17H18N4O6S.
What is the molecular weight of 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea?
The molecular weight of 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea is 406.09 g/mol.
Where can I buy 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea?
You can request a quote for 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.