YM 022
TL;DR: YM 022 (CAS 145084-28-2) is a chemical compound with molecular formula C32H28N4O3 and molecular weight 516.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
YM 022
1-(3-methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
Also Known As: YM022 Racemate, PDSP1_000902, PDSP2_000888, YM 022, >=98% (HPLC), 3-(3-methylphenyl)-1-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
| Molecular Formula | C32H28N4O3 |
|---|---|
| Molecular Weight | 516.22 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 516.2161 |
| Heavy Atoms | 39 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 145084-28-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5=CC=CC=C5C |
| InChIKey | YCXFHPUBGMMWJQ-PMERELPUSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
YM 022 (CAS 145084-28-2), with molecular formula C32H28N4O3 and molecular weight 516.22 g/mol. IUPAC: 1-(3-methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea.
Chemical Property Profile of YM 022
Property Insights of YM 022
The XLogP value of 5.6 indicates that YM 022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for YM 022. Following Lipinski's Rule of Five, YM 022 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of YM 022?
The CAS number of YM 022 is 145084-28-2.
What is the molecular formula of YM 022?
The molecular formula of YM 022 is C32H28N4O3.
What is the molecular weight of YM 022?
The molecular weight of YM 022 is 516.22 g/mol.
Where can I buy YM 022?
You can request a quote for YM 022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM 022?
Yes, KEHONG BIO provides custom synthesis services for YM 022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.