BAS 13474584
TL;DR: BAS 13474584 (CAS 878430-91-2) is a chemical compound with molecular formula C16H12ClN3OS and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
Also Known As: BAS 13474584, 3-(4-chlorophenyl)-4-(2-thienyl)-4,5,7-trihydropyrazolo[5,4-b]pyridin-6-one, 3-(4-chlorophenyl)-4-(thiophen-2-yl)-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one, 3-(4-chlorophenyl)-4-(thiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one, 3-(4-chlorophenyl)-4-thiophen-2-yl-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one
| Molecular Formula | C16H12ClN3OS |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 4.2657 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.03897 |
| Heavy Atoms | 22 |
| Complexity | 823.7103 |
Chemical Identifiers
| CAS Number | 878430-91-2 |
|---|---|
| SMILES | C1C(C2=C(NN=C2NC1=O)C3=CC=C(C=C3)Cl)C4=CC=CS4 |
Product Overview
BAS 13474584 (CAS 878430-91-2), with molecular formula C16H12ClN3OS and molecular weight 329.04 g/mol. IUPAC: 3-(4-chlorophenyl)-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
Chemical Property Profile of BAS 13474584
Property Insights of BAS 13474584
The XLogP value of 4.2657 indicates that BAS 13474584 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.78 Ų, BAS 13474584 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13474584 has 2 hydrogen bond donor(s) and 3 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 13474584?
The CAS number of BAS 13474584 is 878430-91-2.
What is the molecular formula of BAS 13474584?
The molecular formula of BAS 13474584 is C16H12ClN3OS.
What is the molecular weight of BAS 13474584?
The molecular weight of BAS 13474584 is 329.04 g/mol.
Where can I buy BAS 13474584?
You can request a quote for BAS 13474584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13474584?
Yes, KEHONG BIO provides custom synthesis services for BAS 13474584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.