![2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid structure](/static/products/903/903195-40-4.png)
2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
TL;DR: 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid (CAS 903195-40-4) is a chemical compound with molecular formula C17H25N3O5S and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid
Also Known As: 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid, 2-(4-(2-hydroxyethyl)piperazine-1-carboxamido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid, 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid
| Molecular Formula | C17H25N3O5S |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 1.4394 |
| Topological Polar Surface Area | 102.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1515 |
| Heavy Atoms | 26 |
| Complexity | 694.8156 |
Chemical Identifiers
| CAS Number | 903195-40-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=O)N3CCN(CC3)CCO)C |
Product Overview
2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid (CAS 903195-40-4), with molecular formula C17H25N3O5S and molecular weight 383.15 g/mol. IUPAC: 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid.
Chemical Property Profile of 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
Property Insights of 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
The XLogP value of 1.4394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid. The TPSA of 102.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid. Following Lipinski's Rule of Five, 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid 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 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
The CAS number of 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid is 903195-40-4.
What is the molecular formula of 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
The molecular formula of 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid is C17H25N3O5S.
What is the molecular weight of 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
The molecular weight of 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid is 383.15 g/mol.
Where can I buy 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
You can request a quote for 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.