RefChem:342301
TL;DR: RefChem:342301 (CAS 676470-16-9) is a chemical compound with molecular formula C19H22N4O4S2 and molecular weight 434.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: Ethyl 2-[[2-[[6-amino-1,4-dihydro-4-oxo-1-(2-propen-1-yl)-2-pyrimidinyl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[({[6-amino-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, Ethyl 2-((2-((6-amino-1,4-dihydro-4-oxo-1-(2-propen-1-yl)-2-pyrimidinyl)thio)acetyl)amino)-5,6-dihydro-4H-cyclopenta(b)thiophene-3-carboxylate, ethyl 2-({[(1-allyl-6-amino-4-oxo-1,4-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-(2-{[6-AMINO-4-OXO-1-(PROP-2-EN-1-YL)-1,4-DIHYDROPYRIMIDIN-2-YL]SULFANYL}ACETAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C19H22N4O4S2 |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 2.4692 |
| Topological Polar Surface Area | 116.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.10825 |
| Heavy Atoms | 29 |
| Complexity | 1012.3686 |
Chemical Identifiers
| CAS Number | 676470-16-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC(=O)C=C(N3CC=C)N |
Product Overview
RefChem:342301 (CAS 676470-16-9), with molecular formula C19H22N4O4S2 and molecular weight 434.11 g/mol. IUPAC: ethyl 2-[[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of RefChem:342301
Property Insights of RefChem:342301
The XLogP value of 2.4692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:342301. The TPSA of 116.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:342301. Following Lipinski's Rule of Five, RefChem:342301 has 2 hydrogen bond donor(s) and 8 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 RefChem:342301?
The CAS number of RefChem:342301 is 676470-16-9.
What is the molecular formula of RefChem:342301?
The molecular formula of RefChem:342301 is C19H22N4O4S2.
What is the molecular weight of RefChem:342301?
The molecular weight of RefChem:342301 is 434.11 g/mol.
Where can I buy RefChem:342301?
You can request a quote for RefChem:342301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:342301?
Yes, KEHONG BIO provides custom synthesis services for RefChem:342301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.