BIM-0030029.P001
TL;DR: BIM-0030029.P001 (CAS 5904-55-2) is a chemical compound with molecular formula C26H22N4O4 and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Also Known As: BIM-0030029.P001, AB00100430-01, N-[(Z)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide, N-[1-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)-2-(3-nitrophenyl)vinyl]benzamide, N-[(1Z)-3-{[2-(1H-Indol-3-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
| Molecular Formula | C26H22N4O4 |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 4.2059 |
| Topological Polar Surface Area | 117.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.1641 |
| Heavy Atoms | 34 |
| Complexity | 1375.8517 |
Chemical Identifiers
| CAS Number | 5904-55-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCCC3=CNC4=CC=CC=C43 |
Product Overview
BIM-0030029.P001 (CAS 5904-55-2), with molecular formula C26H22N4O4 and molecular weight 454.16 g/mol. IUPAC: N-[(Z)-3-[2-(1H-indol-3-yl)ethylamino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of BIM-0030029.P001
Property Insights of BIM-0030029.P001
The XLogP value of 4.2059 indicates that BIM-0030029.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0030029.P001. Following Lipinski's Rule of Five, BIM-0030029.P001 has 3 hydrogen bond donor(s) and 4 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-0030029.P001?
The CAS number of BIM-0030029.P001 is 5904-55-2.
What is the molecular formula of BIM-0030029.P001?
The molecular formula of BIM-0030029.P001 is C26H22N4O4.
What is the molecular weight of BIM-0030029.P001?
The molecular weight of BIM-0030029.P001 is 454.16 g/mol.
Where can I buy BIM-0030029.P001?
You can request a quote for BIM-0030029.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0030029.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0030029.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.