BAS 01107988
TL;DR: BAS 01107988 (CAS 313379-51-0) is a chemical compound with molecular formula C18H20N4OS and molecular weight 340.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-tert-butyl-4-(4-methylsulfanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Also Known As: BAS 01107988, AB00092619-01, 6-amino-3-(tert-butyl)-4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-tert-butyl-4-(4-methylsulfanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-tert-butyl-4-[4-(methylsulfanyl)phenyl]-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C18H20N4OS |
|---|---|
| Molecular Weight | 340.14 g/mol |
| LogP | 3.64728 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.13577 |
| Heavy Atoms | 24 |
| Complexity | 837.3842 |
Chemical Identifiers
| CAS Number | 313379-51-0 |
|---|---|
| SMILES | CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)SC |
Product Overview
BAS 01107988 (CAS 313379-51-0), with molecular formula C18H20N4OS and molecular weight 340.14 g/mol. IUPAC: 6-amino-3-tert-butyl-4-(4-methylsulfanylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 01107988
Property Insights of BAS 01107988
The XLogP value of 3.64728 indicates that BAS 01107988 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 01107988. Following Lipinski's Rule of Five, BAS 01107988 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 01107988?
The CAS number of BAS 01107988 is 313379-51-0.
What is the molecular formula of BAS 01107988?
The molecular formula of BAS 01107988 is C18H20N4OS.
What is the molecular weight of BAS 01107988?
The molecular weight of BAS 01107988 is 340.14 g/mol.
Where can I buy BAS 01107988?
You can request a quote for BAS 01107988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107988?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.