BAS 00779486
TL;DR: BAS 00779486 (CAS 313702-06-6) is a chemical compound with molecular formula C20H14Cl2N4O and molecular weight 396.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 00779486, BIM-0042725.P001, 6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C20H14Cl2N4O |
|---|---|
| Molecular Weight | 396.05 g/mol |
| LogP | 4.7057 |
| Topological Polar Surface Area | 76.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.05447 |
| Heavy Atoms | 27 |
| Complexity | 1092.7506 |
Chemical Identifiers
| CAS Number | 313702-06-6 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4 |
Product Overview
BAS 00779486 (CAS 313702-06-6), with molecular formula C20H14Cl2N4O and molecular weight 396.05 g/mol. IUPAC: 6-amino-4-(2,6-dichlorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 00779486
Property Insights of BAS 00779486
The XLogP value of 4.7057 indicates that BAS 00779486 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 00779486. Following Lipinski's Rule of Five, BAS 00779486 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 00779486?
The CAS number of BAS 00779486 is 313702-06-6.
What is the molecular formula of BAS 00779486?
The molecular formula of BAS 00779486 is C20H14Cl2N4O.
What is the molecular weight of BAS 00779486?
The molecular weight of BAS 00779486 is 396.05 g/mol.
Where can I buy BAS 00779486?
You can request a quote for BAS 00779486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779486?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.