![7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile structure](/static/products/488/488100-69-2.png)
7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
TL;DR: 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile (CAS 488100-69-2) is a chemical compound with molecular formula C25H21N5O3 and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-5-(1-benzylindol-3-yl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-5-(1-benzylindol-3-yl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C25H21N5O3 |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 2.30518 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.16443 |
| Heavy Atoms | 33 |
| Complexity | 1599.5358 |
Chemical Identifiers
| CAS Number | 488100-69-2 |
|---|---|
| SMILES | CN1C2=C(C(C(=C(O2)N)C#N)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C(=O)N(C1=O)C |
Product Overview
7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile (CAS 488100-69-2), with molecular formula C25H21N5O3 and molecular weight 439.16 g/mol. IUPAC: 7-amino-5-(1-benzylindol-3-yl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Property Insights of 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
The XLogP value of 2.30518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile. Following Lipinski's Rule of Five, 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile has 1 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 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
The CAS number of 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile is 488100-69-2.
What is the molecular formula of 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
The molecular formula of 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile is C25H21N5O3.
What is the molecular weight of 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
The molecular weight of 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile is 439.16 g/mol.
Where can I buy 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
You can request a quote for 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[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-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-amino-5-(1-benzyl-1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.