![2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid structure](/static/products/7322/732291-84-8.webp)
2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid
TL;DR: 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid (CAS 732291-84-8) is a chemical compound with molecular formula C13H14N2O5S2 and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid
Also Known As: 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid, ({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}thio)acetic acid, 2-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid, 6-Ethyl 2-[[(carboxymethyl)thio]methyl]-1,4-dihydro-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate, 2-(((6-(ETHOXYCARBONYL)-5-METHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL)THIO)ACETIC ACID
| Molecular Formula | C13H14N2O5S2 |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 1.78752 |
| Topological Polar Surface Area | 109.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.03442 |
| Heavy Atoms | 22 |
| Complexity | 780.5638 |
Chemical Identifiers
| CAS Number | 732291-84-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCC(=O)O)C |
Product Overview
2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid (CAS 732291-84-8), with molecular formula C13H14N2O5S2 and molecular weight 342.03 g/mol. IUPAC: 2-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid.
Chemical Property Profile of 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid
Property Insights of 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid
The XLogP value of 1.78752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid. The TPSA of 109.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid has 2 hydrogen bond donor(s) and 7 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-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid?
The CAS number of 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid is 732291-84-8.
What is the molecular formula of 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid?
The molecular formula of 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid is C13H14N2O5S2.
What is the molecular weight of 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid?
The molecular weight of 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid is 342.03 g/mol.
Where can I buy 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid?
You can request a quote for 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[6-(ethoxycarbonyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.