BIM-0029118.P001
TL;DR: BIM-0029118.P001 (CAS 321531-35-5) is a chemical compound with molecular formula C17H20N4O3 and molecular weight 328.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(3-nitrophenyl)-1,4,5-triazatricyclo[5.2.2.02,6]undec-5-en-4-yl]propan-1-one
Also Known As: BIM-0029118.P001, A2181/0091663, 1-(3-(3-nitrophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl)propan-1-one, 1-[3-(3-nitrophenyl)-3,3a,6,7-tetrahydro-4,7-ethanopyrazolo[4,3-b]pyridin-2(5H)-yl]propan-1-one, 3-{3-nitrophenyl}-4-propionyl-1,4,5-triazatricyclo[5.2.2.0~2,6~]undec-5-ene
| Molecular Formula | C17H20N4O3 |
|---|---|
| Molecular Weight | 328.15 g/mol |
| LogP | 2.3383 |
| Topological Polar Surface Area | 79.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.15353 |
| Heavy Atoms | 24 |
| Complexity | 724.3008 |
Chemical Identifiers
| CAS Number | 321531-35-5 |
|---|---|
| SMILES | CCC(=O)N1C(C2C(=N1)C3CCN2CC3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
BIM-0029118.P001 (CAS 321531-35-5), with molecular formula C17H20N4O3 and molecular weight 328.15 g/mol. IUPAC: 1-[3-(3-nitrophenyl)-1,4,5-triazatricyclo[5.2.2.02,6]undec-5-en-4-yl]propan-1-one.
Chemical Property Profile of BIM-0029118.P001
Property Insights of BIM-0029118.P001
The XLogP value of 2.3383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0029118.P001. The TPSA of 79.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0029118.P001. Following Lipinski's Rule of Five, BIM-0029118.P001 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 BIM-0029118.P001?
The CAS number of BIM-0029118.P001 is 321531-35-5.
What is the molecular formula of BIM-0029118.P001?
The molecular formula of BIM-0029118.P001 is C17H20N4O3.
What is the molecular weight of BIM-0029118.P001?
The molecular weight of BIM-0029118.P001 is 328.15 g/mol.
Where can I buy BIM-0029118.P001?
You can request a quote for BIM-0029118.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0029118.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0029118.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.