![7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile structure](/static/products/5367/536719-76-3.webp)
7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
TL;DR: 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CAS 536719-76-3) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile, F1159-0046, 7-amino-2-(benzylthio)-5-isopropyl-4-oxo-4,5-dihydro-3H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-2-(benzylsulfanyl)-4-oxo-5-(propan-2-yl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-AMINO-2-(BENZYLSULFANYL)-5-ISOPROPYL-4-OXO-3,5-DIHYDRO-4H-PYRANO[2,3-D]PYRIMIDIN-6-YL CYANIDE
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 2.88808 |
| Topological Polar Surface Area | 104.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 912.9087 |
Chemical Identifiers
| CAS Number | 536719-76-3 |
|---|---|
| SMILES | CC(C)C1C(=C(OC2=C1C(=O)NC(=N2)SCC3=CC=CC=C3)N)C#N |
Product Overview
7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CAS 536719-76-3), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Property Insights of 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
The XLogP value of 2.88808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile. The TPSA of 104.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile. Following Lipinski's Rule of Five, 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile has 2 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 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The CAS number of 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is 536719-76-3.
What is the molecular formula of 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The molecular formula of 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is C18H18N4O2S.
What is the molecular weight of 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The molecular weight of 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is 354.12 g/mol.
Where can I buy 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
You can request a quote for 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.