BAS 00641244
TL;DR: BAS 00641244 (CAS 314040-33-0) is a chemical compound with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(2-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00641244, 6-amino-4-(2-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(2-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(2-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbo nitrile, 6-AMINO-4-(2-METHOXYPHENYL)-3-METHYL-1-PHENYL-1H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
| Molecular Formula | C21H18N4O2 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 3.4075 |
| Topological Polar Surface Area | 86.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.14297 |
| Heavy Atoms | 27 |
| Complexity | 1077.3063 |
Chemical Identifiers
| CAS Number | 314040-33-0 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3OC)C4=CC=CC=C4 |
Product Overview
BAS 00641244 (CAS 314040-33-0), with molecular formula C21H18N4O2 and molecular weight 358.14 g/mol. IUPAC: 6-amino-4-(2-methoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00641244
Property Insights of BAS 00641244
The XLogP value of 3.4075 indicates that BAS 00641244 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00641244. Following Lipinski's Rule of Five, BAS 00641244 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 BAS 00641244?
The CAS number of BAS 00641244 is 314040-33-0.
What is the molecular formula of BAS 00641244?
The molecular formula of BAS 00641244 is C21H18N4O2.
What is the molecular weight of BAS 00641244?
The molecular weight of BAS 00641244 is 358.14 g/mol.
Where can I buy BAS 00641244?
You can request a quote for BAS 00641244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00641244?
Yes, KEHONG BIO provides custom synthesis services for BAS 00641244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.