nutlin-3A
TL;DR: nutlin-3A (CAS 63347-83-1) is a chemical compound with molecular formula C30H30Cl2N4O4 and molecular weight 580.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
Also Known As: nutlin-3A, nutlin 3, (Rac)-Nutlin-3, nutlin-3B, Nutlin 3a
| Molecular Formula | C30H30Cl2N4O4 |
|---|---|
| Molecular Weight | 580.16 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 580.1644 |
| Heavy Atoms | 40 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 63347-83-1 |
|---|---|
| SMILES | CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl |
| InChIKey | BDUHCSBCVGXTJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
nutlin-3A (CAS 63347-83-1), with molecular formula C30H30Cl2N4O4 and molecular weight 580.16 g/mol. IUPAC: 4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.
Chemical Property Profile of nutlin-3A
Property Insights of nutlin-3A
The XLogP value of 5.2 indicates that nutlin-3A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for nutlin-3A. Following Lipinski's Rule of Five, nutlin-3A has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of nutlin-3A?
The CAS number of nutlin-3A is 63347-83-1.
What is the molecular formula of nutlin-3A?
The molecular formula of nutlin-3A is C30H30Cl2N4O4.
What is the molecular weight of nutlin-3A?
The molecular weight of nutlin-3A is 580.16 g/mol.
Where can I buy nutlin-3A?
You can request a quote for nutlin-3A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for nutlin-3A?
Yes, KEHONG BIO provides custom synthesis services for nutlin-3A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.