BAS 13474591
TL;DR: BAS 13474591 (CAS 727676-89-3) is a chemical compound with molecular formula C19H15N3O3 and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
Also Known As: BAS 13474591, A3773/0160067, 4-(1,3-benzodioxol-5-yl)-3-phenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one, 4-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one, 4-(benzo[d][1,3]dioxol-5-yl)-3-phenyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
| Molecular Formula | C19H15N3O3 |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | 3.2795 |
| Topological Polar Surface Area | 76.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.11133 |
| Heavy Atoms | 25 |
| Complexity | 965.3006 |
Chemical Identifiers
| CAS Number | 727676-89-3 |
|---|---|
| SMILES | C1C(C2=C(NN=C2NC1=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 13474591 (CAS 727676-89-3), with molecular formula C19H15N3O3 and molecular weight 333.11 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
Chemical Property Profile of BAS 13474591
Property Insights of BAS 13474591
The XLogP value of 3.2795 indicates that BAS 13474591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13474591. Following Lipinski's Rule of Five, BAS 13474591 has 2 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 13474591?
The CAS number of BAS 13474591 is 727676-89-3.
What is the molecular formula of BAS 13474591?
The molecular formula of BAS 13474591 is C19H15N3O3.
What is the molecular weight of BAS 13474591?
The molecular weight of BAS 13474591 is 333.11 g/mol.
Where can I buy BAS 13474591?
You can request a quote for BAS 13474591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13474591?
Yes, KEHONG BIO provides custom synthesis services for BAS 13474591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.