![2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid structure](/static/products/904/904008-72-6.png)
2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
TL;DR: 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid (CAS 904008-72-6) is a chemical compound with molecular formula C14H20N2O5S and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid
Also Known As: 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid, 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid, 2-{[(2-hydroxyethyl)(methyl)carbamoyl]amino}-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
| Molecular Formula | C14H20N2O5S |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 1.7536 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.10928 |
| Heavy Atoms | 22 |
| Complexity | 596.2988 |
Chemical Identifiers
| CAS Number | 904008-72-6 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC(=C2C(=O)O)NC(=O)N(C)CCO)C |
Product Overview
2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid (CAS 904008-72-6), with molecular formula C14H20N2O5S and molecular weight 328.11 g/mol. IUPAC: 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid.
Chemical Property Profile of 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
Property Insights of 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
The XLogP value of 1.7536 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid 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 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid?
The CAS number of 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid is 904008-72-6.
What is the molecular formula of 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid?
The molecular formula of 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid is C14H20N2O5S.
What is the molecular weight of 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid?
The molecular weight of 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid is 328.11 g/mol.
Where can I buy 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid?
You can request a quote for 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-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-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(2-hydroxyethyl)-3-methylureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.