AI-775/33883013
TL;DR: AI-775/33883013 (CAS 99941-35-2) is a chemical compound with molecular formula C18H14N4O2 and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(furan-2-yl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: AI-775/33883013, 6-amino-4-(furan-2-yl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(furan-2-yl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(furan-2-yl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 1-Phenyl-3-methyl-4-(2-furyl)-6-amino-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C18H14N4O2 |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.11166 |
| Heavy Atoms | 24 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 99941-35-2 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CO3)C4=CC=CC=C4 |
| InChIKey | XHMCPIHBFUJMPR-UHFFFAOYSA-N |
Product Overview
AI-775/33883013 (CAS 99941-35-2), with molecular formula C18H14N4O2 and molecular weight 318.11 g/mol. IUPAC: 6-amino-4-(furan-2-yl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of AI-775/33883013
Property Insights of AI-775/33883013
The XLogP value of 3.1 indicates that AI-775/33883013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-775/33883013. Following Lipinski's Rule of Five, AI-775/33883013 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 AI-775/33883013?
The CAS number of AI-775/33883013 is 99941-35-2.
What is the molecular formula of AI-775/33883013?
The molecular formula of AI-775/33883013 is C18H14N4O2.
What is the molecular weight of AI-775/33883013?
The molecular weight of AI-775/33883013 is 318.11 g/mol.
Where can I buy AI-775/33883013?
You can request a quote for AI-775/33883013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-775/33883013?
Yes, KEHONG BIO provides custom synthesis services for AI-775/33883013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.