![4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid structure](/static/products/836/836663-82-2.png)
4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid
TL;DR: 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid (CAS 836663-82-2) is a chemical compound with molecular formula C20H22N4O6S3 and molecular weight 510.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylamino]butanoic acid
Also Known As: 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid, 4-[[4-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylamino]butanoic acid, 4-{4-[2-({5,6-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetamido]benzenesulfonamido}butanoic acid, 4-({[4-({[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio]acetyl}amino)phenyl]sulfonyl}amino)butanoic acid, 4-[({4-[2-(5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylthio)acetyl amino]phenyl}sulfonyl)amino]butanoic acid
| Molecular Formula | C20H22N4O6S3 |
|---|---|
| Molecular Weight | 510.07 g/mol |
| LogP | 2.47534 |
| Topological Polar Surface Area | 158.32 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 510.07016 |
| Heavy Atoms | 33 |
| Complexity | 1346.6174 |
Chemical Identifiers
| CAS Number | 836663-82-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCCC(=O)O)C |
Product Overview
4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid (CAS 836663-82-2), with molecular formula C20H22N4O6S3 and molecular weight 510.07 g/mol. IUPAC: 4-[[4-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]phenyl]sulfonylamino]butanoic acid.
Chemical Property Profile of 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid
Property Insights of 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid
The XLogP value of 2.47534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid. The TPSA of 158.32 Ų indicates high polarity, suggesting 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid?
The CAS number of 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid is 836663-82-2.
What is the molecular formula of 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid?
The molecular formula of 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid is C20H22N4O6S3.
What is the molecular weight of 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid?
The molecular weight of 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid is 510.07 g/mol.
Where can I buy 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid?
You can request a quote for 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(2-((5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)phenylsulfonamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.