BAS 06900979
TL;DR: BAS 06900979 (CAS 674804-44-5) is a chemical compound with molecular formula C21H24N4OS and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-cyclohexyl-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 06900979, 6-amino-4-cyclohexyl-3-((p-tolylthio)methyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-cyclohexyl-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-cyclohexyl-3-[(4-methylphenylthio)methyl]-4H-pyrano[2,3-c]pyrazole-5 -carbonitrile, 6-amino-4-cyclohexyl-3-{[(4-methylphenyl)sulfanyl]methyl}-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C21H24N4OS |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 4.7606 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.16708 |
| Heavy Atoms | 27 |
| Complexity | 887.8957 |
Chemical Identifiers
| CAS Number | 674804-44-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C3C(C(=C(OC3=NN2)N)C#N)C4CCCCC4 |
Product Overview
BAS 06900979 (CAS 674804-44-5), with molecular formula C21H24N4OS and molecular weight 380.17 g/mol. IUPAC: 6-amino-4-cyclohexyl-3-[(4-methylphenyl)sulfanylmethyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 06900979
Property Insights of BAS 06900979
The XLogP value of 4.7606 indicates that BAS 06900979 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06900979. Following Lipinski's Rule of Five, BAS 06900979 has 2 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 06900979?
The CAS number of BAS 06900979 is 674804-44-5.
What is the molecular formula of BAS 06900979?
The molecular formula of BAS 06900979 is C21H24N4OS.
What is the molecular weight of BAS 06900979?
The molecular weight of BAS 06900979 is 380.17 g/mol.
Where can I buy BAS 06900979?
You can request a quote for BAS 06900979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900979?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.