J2.044.084H
TL;DR: J2.044.084H (CAS 94988-89-3) is a chemical compound with molecular formula C14H9ClN4O3 and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-5-(2-chlorophenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: J2.044.084H, 7-amino-5-(2-chlorophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1h-pyrano[2,3-d]pyrimidine-6-carbonitrile, 1,5-Dihydro-7-amino-5-(2-chlorophenyl)-6-cyano-2H-pyrano[2,3-d]pyrimidine-2,4(3H)-dione, 7-amino-5-(2-chlorophenyl)-2,4-dihydroxy-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-5-(2-chlorophenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C14H9ClN4O3 |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.03632 |
| Heavy Atoms | 22 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 94988-89-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N)Cl |
| InChIKey | YYQGUSDMIKPCKY-UHFFFAOYSA-N |
Product Overview
J2.044.084H (CAS 94988-89-3), with molecular formula C14H9ClN4O3 and molecular weight 316.04 g/mol. IUPAC: 7-amino-5-(2-chlorophenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of J2.044.084H
Property Insights of J2.044.084H
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.044.084H. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.044.084H. Following Lipinski's Rule of Five, J2.044.084H has 3 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 J2.044.084H?
The CAS number of J2.044.084H is 94988-89-3.
What is the molecular formula of J2.044.084H?
The molecular formula of J2.044.084H is C14H9ClN4O3.
What is the molecular weight of J2.044.084H?
The molecular weight of J2.044.084H is 316.04 g/mol.
Where can I buy J2.044.084H?
You can request a quote for J2.044.084H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.044.084H?
Yes, KEHONG BIO provides custom synthesis services for J2.044.084H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.