![1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea structure](/static/products/905/905429-71-2.png)
1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
TL;DR: 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CAS 905429-71-2) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
Also Known As: 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea, 1-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea, 1-(3-cyano-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-3-(3,4-dimethoxyphenethyl)urea
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 3.85248 |
| Topological Polar Surface Area | 92.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 946.13336 |
Chemical Identifiers
| CAS Number | 905429-71-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC(=C2C#N)NC(=O)NCCC3=CC(=C(C=C3)OC)OC)C |
Product Overview
1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CAS 905429-71-2), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: 1-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
Chemical Property Profile of 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
Property Insights of 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
The XLogP value of 3.85248 indicates that 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-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 92.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea. Following Lipinski's Rule of Five, 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea has 2 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-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The CAS number of 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is 905429-71-2.
What is the molecular formula of 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The molecular formula of 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is C21H25N3O4S.
What is the molecular weight of 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The molecular weight of 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is 415.16 g/mol.
Where can I buy 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
You can request a quote for 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-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-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.