![1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea structure](/static/products/7067/706773-32-2.webp)
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
TL;DR: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea (CAS 706773-32-2) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 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-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
Also Known As: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea, N-[({[2-(3,4-dimethoxyphenyl)ethyl]amino}thioxomethyl)amino](3-methylbenzo[d]f uran-2-yl)carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinecarbothioamide
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 3.11002 |
| Topological Polar Surface Area | 84.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 1031.9381 |
Chemical Identifiers
| CAS Number | 706773-32-2 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NCCC3=CC(=C(C=C3)OC)OC |
Product Overview
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea (CAS 706773-32-2), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea.
Chemical Property Profile of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
Property Insights of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
The XLogP value of 3.11002 indicates that 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea. Following Lipinski's Rule of Five, 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea has 3 hydrogen bond donor(s) and 5 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-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea?
The CAS number of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea is 706773-32-2.
What is the molecular formula of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea?
The molecular formula of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea is C21H23N3O4S.
What is the molecular weight of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea?
The molecular weight of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea is 413.14 g/mol.
Where can I buy 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea?
You can request a quote for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)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-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.