BAS 01101685
TL;DR: BAS 01101685 (CAS 309278-34-0) is a chemical compound with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Also Known As: BAS 01101685, AB00095139-01, 6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, A2128/0089319, 6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
| Molecular Formula | C23H22N4O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 3.72452 |
| Topological Polar Surface Area | 95.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.1692 |
| Heavy Atoms | 30 |
| Complexity | 1186.3927 |
Chemical Identifiers
| CAS Number | 309278-34-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(C(=C(O3)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=N2)C |
Product Overview
BAS 01101685 (CAS 309278-34-0), with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol. IUPAC: 6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.
Chemical Property Profile of BAS 01101685
Property Insights of BAS 01101685
The XLogP value of 3.72452 indicates that BAS 01101685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01101685. Following Lipinski's Rule of Five, BAS 01101685 has 1 hydrogen bond donor(s) and 6 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 01101685?
The CAS number of BAS 01101685 is 309278-34-0.
What is the molecular formula of BAS 01101685?
The molecular formula of BAS 01101685 is C23H22N4O3.
What is the molecular weight of BAS 01101685?
The molecular weight of BAS 01101685 is 402.17 g/mol.
Where can I buy BAS 01101685?
You can request a quote for BAS 01101685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01101685?
Yes, KEHONG BIO provides custom synthesis services for BAS 01101685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.