AE-848/10130012
TL;DR: AE-848/10130012 (CAS 343588-96-5) is a chemical compound with molecular formula C16H13ClN4O3 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: AE-848/10130012, 7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C16H13ClN4O3 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 0.95558 |
| Topological Polar Surface Area | 103.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.06763 |
| Heavy Atoms | 24 |
| Complexity | 1042.7539 |
Chemical Identifiers
| CAS Number | 343588-96-5 |
|---|---|
| SMILES | CN1C2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3Cl)C(=O)N(C1=O)C |
Product Overview
AE-848/10130012 (CAS 343588-96-5), with molecular formula C16H13ClN4O3 and molecular weight 344.07 g/mol. IUPAC: 7-amino-5-(2-chlorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of AE-848/10130012
Property Insights of AE-848/10130012
The XLogP value of 0.95558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/10130012. The TPSA of 103.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/10130012. Following Lipinski's Rule of Five, AE-848/10130012 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 AE-848/10130012?
The CAS number of AE-848/10130012 is 343588-96-5.
What is the molecular formula of AE-848/10130012?
The molecular formula of AE-848/10130012 is C16H13ClN4O3.
What is the molecular weight of AE-848/10130012?
The molecular weight of AE-848/10130012 is 344.07 g/mol.
Where can I buy AE-848/10130012?
You can request a quote for AE-848/10130012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/10130012?
Yes, KEHONG BIO provides custom synthesis services for AE-848/10130012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.