BAS 00672976
TL;DR: BAS 00672976 (CAS 331957-44-9) is a chemical compound with molecular formula C24H24N4O and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methyl-1-phenyl-4-(2,3,5,6-tetramethylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00672976, 6-amino-3-methyl-1-phenyl-4-(2,3,5,6-tetramethylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-1-phenyl-4-(2,3,5,6-tetramethylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-methyl-1-phenyl-4-(2,3,5,6-tetramethylphenyl)-4H-pyrano[3,2-d]pyrazo le-5-carbonitrile
| Molecular Formula | C24H24N4O |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 4.63258 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.195 |
| Heavy Atoms | 29 |
| Complexity | 1169.8491 |
Chemical Identifiers
| CAS Number | 331957-44-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C)N)C#N)C)C |
Product Overview
BAS 00672976 (CAS 331957-44-9), with molecular formula C24H24N4O and molecular weight 384.19 g/mol. IUPAC: 6-amino-3-methyl-1-phenyl-4-(2,3,5,6-tetramethylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00672976
Property Insights of BAS 00672976
The XLogP value of 4.63258 indicates that BAS 00672976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00672976. Following Lipinski's Rule of Five, BAS 00672976 has 1 hydrogen bond donor(s) and 4 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 00672976?
The CAS number of BAS 00672976 is 331957-44-9.
What is the molecular formula of BAS 00672976?
The molecular formula of BAS 00672976 is C24H24N4O.
What is the molecular weight of BAS 00672976?
The molecular weight of BAS 00672976 is 384.19 g/mol.
Where can I buy BAS 00672976?
You can request a quote for BAS 00672976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00672976?
Yes, KEHONG BIO provides custom synthesis services for BAS 00672976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.