NCI60_036595
TL;DR: NCI60_036595 (CAS 313690-26-5) is a chemical compound with molecular formula C34H31N3O3 and molecular weight 529.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1H-indol-3-yl)ethyl]-4-[[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]methyl]benzamide
Also Known As: NCI60_036595, N-[2-(1H-Indol-3-yl)ethyl]-4-[[[1-oxo-3-[4-(phenylmethoxy)phenyl]-2-propen-1-yl]amino]methyl]benzamide, 4-[({3-[4-(Benzyloxy)phenyl]prop-2-enoyl}amino)methyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide, N-[2-(1H-indol-3-yl)ethyl]-4-[[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]methyl]benzamide
| Molecular Formula | C34H31N3O3 |
|---|---|
| Molecular Weight | 529.24 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 529.2366 |
| Heavy Atoms | 40 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 313690-26-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54 |
| InChIKey | ZSYCJKUTPWYRGG-UHFFFAOYSA-N |
Product Overview
NCI60_036595 (CAS 313690-26-5), with molecular formula C34H31N3O3 and molecular weight 529.24 g/mol. IUPAC: N-[2-(1H-indol-3-yl)ethyl]-4-[[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]methyl]benzamide.
Chemical Property Profile of NCI60_036595
Property Insights of NCI60_036595
The XLogP value of 5.9 indicates that NCI60_036595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_036595. Following Lipinski's Rule of Five, NCI60_036595 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_036595?
The CAS number of NCI60_036595 is 313690-26-5.
What is the molecular formula of NCI60_036595?
The molecular formula of NCI60_036595 is C34H31N3O3.
What is the molecular weight of NCI60_036595?
The molecular weight of NCI60_036595 is 529.24 g/mol.
Where can I buy NCI60_036595?
You can request a quote for NCI60_036595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_036595?
Yes, KEHONG BIO provides custom synthesis services for NCI60_036595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.