BIM-0013458.P001
TL;DR: BIM-0013458.P001 (CAS 464155-78-0) is a chemical compound with molecular formula C21H17NO3 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-methylphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione
Also Known As: BIM-0013458.P001, 2-(p-tolyl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione, (3aS,4R,9S,9aR)-2-(p-tolyl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione, 11-(4-methylphenyl)-11-azatetracyclo[6.5.2.0<2,7>.0<9,13>]pentadeca-2(7),3,5-t riene-10,12,14-trione, 11-(4-methylphenyl)-11-azatetracyclo[6.5.2.0~2,7~.0~9,13~]pentadeca-2,4,6-triene-10,12,14-trione
| Molecular Formula | C21H17NO3 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 2.95442 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.12085 |
| Heavy Atoms | 25 |
| Complexity | 930.4123 |
Chemical Identifiers
| CAS Number | 464155-78-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C4CC(=O)C(C3C2=O)C5=CC=CC=C45 |
Product Overview
BIM-0013458.P001 (CAS 464155-78-0), with molecular formula C21H17NO3 and molecular weight 331.12 g/mol. IUPAC: 11-(4-methylphenyl)-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-10,12,14-trione.
Chemical Property Profile of BIM-0013458.P001
Property Insights of BIM-0013458.P001
The XLogP value of 2.95442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0013458.P001. With a topological polar surface area (TPSA) of 54.45 Ų, BIM-0013458.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0013458.P001 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 BIM-0013458.P001?
The CAS number of BIM-0013458.P001 is 464155-78-0.
What is the molecular formula of BIM-0013458.P001?
The molecular formula of BIM-0013458.P001 is C21H17NO3.
What is the molecular weight of BIM-0013458.P001?
The molecular weight of BIM-0013458.P001 is 331.12 g/mol.
Where can I buy BIM-0013458.P001?
You can request a quote for BIM-0013458.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0013458.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0013458.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.