![1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea structure](/static/products/7012/701288-79-1.webp)
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea
TL;DR: 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea (CAS 701288-79-1) is a chemical compound with molecular formula C19H22N4O5S and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea
Also Known As: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea, N-[({[2-(3,4-dimethoxyphenyl)ethyl]amino}thioxomethyl)amino]-2-(4-nitrophenyl) acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-nitrophenyl)acetyl]hydrazinecarbothioamide
| Molecular Formula | C19H22N4O5S |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 1.8925 |
| Topological Polar Surface Area | 114.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.1311 |
| Heavy Atoms | 29 |
| Complexity | 873.40326 |
Chemical Identifiers
| CAS Number | 701288-79-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])OC |
Product Overview
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea (CAS 701288-79-1), with molecular formula C19H22N4O5S and molecular weight 418.13 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea.
Chemical Property Profile of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea
Property Insights of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea
The XLogP value of 1.8925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea. The TPSA of 114.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea. Following Lipinski's Rule of Five, 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea has 3 hydrogen bond donor(s) and 6 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-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea?
The CAS number of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea is 701288-79-1.
What is the molecular formula of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea?
The molecular formula of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea is C19H22N4O5S.
What is the molecular weight of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea?
The molecular weight of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea is 418.13 g/mol.
Where can I buy 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea?
You can request a quote for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]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-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.