BAS 02098997
TL;DR: BAS 02098997 (CAS 353268-46-9) is a chemical compound with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-nitrophenyl)-1,4,5-triazatricyclo[5.2.2.02,6]undec-5-en-4-yl]ethanone
Also Known As: BAS 02098997, BIM-0021698.P001, AI-346/37349001, 1-[3-(4-nitrophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]ethanone, 1-(3-(4-nitrophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl)ethanone
| Molecular Formula | C16H18N4O3 |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 1.9482 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.13788 |
| Heavy Atoms | 23 |
| Complexity | 691.7818 |
Chemical Identifiers
| CAS Number | 353268-46-9 |
|---|---|
| SMILES | CC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 02098997 (CAS 353268-46-9), with molecular formula C16H18N4O3 and molecular weight 314.14 g/mol. IUPAC: 1-[3-(4-nitrophenyl)-1,4,5-triazatricyclo[5.2.2.02,6]undec-5-en-4-yl]ethanone.
Chemical Property Profile of BAS 02098997
Property Insights of BAS 02098997
The XLogP value of 1.9482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02098997. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02098997. Following Lipinski's Rule of Five, BAS 02098997 has 0 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 02098997?
The CAS number of BAS 02098997 is 353268-46-9.
What is the molecular formula of BAS 02098997?
The molecular formula of BAS 02098997 is C16H18N4O3.
What is the molecular weight of BAS 02098997?
The molecular weight of BAS 02098997 is 314.14 g/mol.
Where can I buy BAS 02098997?
You can request a quote for BAS 02098997 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02098997?
Yes, KEHONG BIO provides custom synthesis services for BAS 02098997 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.