![1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea structure](/static/products/7012/701289-80-7.webp)
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
TL;DR: 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea (CAS 701289-80-7) is a chemical compound with molecular formula C21H23N5O4S2 and molecular weight 473.12 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-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
Also Known As: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea, 4-({[2-(3,4-dimethoxyphenyl)ethyl]carbamothioyl}amino)-N-(pyrimidin-2-yl)benzenesulfonamide, ({4-[({[2-(3,4-dimethoxyphenyl)ethyl]amino}thioxomethyl)amino]phenyl}sulfonyl) pyrimidin-2-ylamine
| Molecular Formula | C21H23N5O4S2 |
|---|---|
| Molecular Weight | 473.12 g/mol |
| LogP | 2.8237 |
| Topological Polar Surface Area | 114.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.11914 |
| Heavy Atoms | 32 |
| Complexity | 1156.5674 |
Chemical Identifiers
| CAS Number | 701289-80-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC |
Product Overview
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea (CAS 701289-80-7), with molecular formula C21H23N5O4S2 and molecular weight 473.12 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea.
Chemical Property Profile of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
Property Insights of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
The XLogP value of 2.8237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea. The TPSA of 114.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea. Following Lipinski's Rule of Five, 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]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-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea?
The CAS number of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea is 701289-80-7.
What is the molecular formula of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea?
The molecular formula of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea is C21H23N5O4S2.
What is the molecular weight of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea?
The molecular weight of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea is 473.12 g/mol.
Where can I buy 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea?
You can request a quote for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]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-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.