BIIE 0246
TL;DR: BIIE 0246 (CAS 1219190-84-7) is a chemical compound with molecular formula C49H57N11O6 and molecular weight 895.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diaminomethylideneamino)-N-[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-2-[[2-[1-[2-oxo-2-[4-(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-11-yl)piperazin-1-yl]ethyl]cyclopentyl]acetyl]amino]pentanamide
Also Known As: BIIE 0246, AR-H 053591, 5-(diaminomethylideneamino)-N-[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-2-[[2-[1-[2-oxo-2-[4-(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-11-yl)piperazin-1-yl]ethyl]cyclopentyl]acetyl]amino]pentanamide, BIIE 0246; CHEMBL540989; GTPL1547; CTK8E9439; BIIE0246;AR-H 053591, (2S)-5-(diaminomethylideneamino)-N-[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-2-[[2-[1-[2-oxo-2-[4-(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-11-yl)piperazin-1-yl]ethyl]cyclopentyl]acetyl]amino]pentanamide
| Molecular Formula | C49H57N11O6 |
|---|---|
| Molecular Weight | 895.45 g/mol |
| LogP | 3.2846 |
| Topological Polar Surface Area | 224.18 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 895.44934 |
| Heavy Atoms | 66 |
| Complexity | 2621.838 |
Chemical Identifiers
| CAS Number | 1219190-84-7 |
|---|---|
| SMILES | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 |
Product Overview
BIIE 0246 (CAS 1219190-84-7), with molecular formula C49H57N11O6 and molecular weight 895.45 g/mol. IUPAC: 5-(diaminomethylideneamino)-N-[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-2-[[2-[1-[2-oxo-2-[4-(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-11-yl)piperazin-1-yl]ethyl]cyclopentyl]acetyl]amino]pentanamide.
Chemical Property Profile of BIIE 0246
Property Insights of BIIE 0246
The XLogP value of 3.2846 indicates that BIIE 0246 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.18 Ų indicates high polarity, suggesting BIIE 0246 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIIE 0246 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIIE 0246?
The CAS number of BIIE 0246 is 1219190-84-7.
What is the molecular formula of BIIE 0246?
The molecular formula of BIIE 0246 is C49H57N11O6.
What is the molecular weight of BIIE 0246?
The molecular weight of BIIE 0246 is 895.45 g/mol.
Where can I buy BIIE 0246?
You can request a quote for BIIE 0246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIIE 0246?
Yes, KEHONG BIO provides custom synthesis services for BIIE 0246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.