![1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea structure](/static/products/904/904500-87-4.png)
1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
TL;DR: 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CAS 904500-87-4) is a chemical compound with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
Also Known As: 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea, 1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(3,4-dimethoxyphenethyl)urea
| Molecular Formula | C20H23N3O3S |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 3.87998 |
| Topological Polar Surface Area | 83.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.14603 |
| Heavy Atoms | 27 |
| Complexity | 870.0874 |
Chemical Identifiers
| CAS Number | 904500-87-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)NC2=C(C3=C(S2)CCCC3)C#N)OC |
Product Overview
1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CAS 904500-87-4), with molecular formula C20H23N3O3S and molecular weight 385.15 g/mol. IUPAC: 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
Chemical Property Profile of 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
Property Insights of 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
The XLogP value of 3.87998 indicates that 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea. Following Lipinski's Rule of Five, 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea has 2 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-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The CAS number of 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is 904500-87-4.
What is the molecular formula of 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The molecular formula of 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is C20H23N3O3S.
What is the molecular weight of 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The molecular weight of 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is 385.15 g/mol.
Where can I buy 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
You can request a quote for 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.