BAS 08768428
TL;DR: BAS 08768428 (CAS 459153-12-9) is a chemical compound with molecular formula C14H11ClN2O2 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: BAS 08768428, BIM-0046053.P001, 2-(4-chloropyridin-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-(4-chloro-2-pyridyl)-4-azatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5-dione, 4-(4-Chloro-pyridin-2-yl)-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione
| Molecular Formula | C14H11ClN2O2 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 2.0465 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.0509 |
| Heavy Atoms | 19 |
| Complexity | 597.6269 |
Chemical Identifiers
| CAS Number | 459153-12-9 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=NC=CC(=C4)Cl |
Product Overview
BAS 08768428 (CAS 459153-12-9), with molecular formula C14H11ClN2O2 and molecular weight 274.05 g/mol. IUPAC: 4-(4-chloro-2-pyridinyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of BAS 08768428
Property Insights of BAS 08768428
The XLogP value of 2.0465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08768428. With a topological polar surface area (TPSA) of 50.27 Ų, BAS 08768428 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 08768428 has 0 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 08768428?
The CAS number of BAS 08768428 is 459153-12-9.
What is the molecular formula of BAS 08768428?
The molecular formula of BAS 08768428 is C14H11ClN2O2.
What is the molecular weight of BAS 08768428?
The molecular weight of BAS 08768428 is 274.05 g/mol.
Where can I buy BAS 08768428?
You can request a quote for BAS 08768428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08768428?
Yes, KEHONG BIO provides custom synthesis services for BAS 08768428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.