Doramapimod
TL;DR: Doramapimod (CAS 2859873-48-4) is a chemical compound with molecular formula C31H37N5O3 and molecular weight 527.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
Also Known As: Doramapimod, BIRB 796, BIRB 796 (Doramapimod), doramapimodum, BIRB796
| Molecular Formula | C31H37N5O3 |
|---|---|
| Molecular Weight | 527.29 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 527.2896 |
| Heavy Atoms | 39 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 2859873-48-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5 |
| InChIKey | MVCOAUNKQVWQHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Doramapimod (CAS 2859873-48-4), with molecular formula C31H37N5O3 and molecular weight 527.29 g/mol. IUPAC: 1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea.
Chemical Property Profile of Doramapimod
Property Insights of Doramapimod
The XLogP value of 5.7 indicates that Doramapimod is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Doramapimod. Following Lipinski's Rule of Five, Doramapimod has 2 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 Doramapimod?
The CAS number of Doramapimod is 2859873-48-4.
What is the molecular formula of Doramapimod?
The molecular formula of Doramapimod is C31H37N5O3.
What is the molecular weight of Doramapimod?
The molecular weight of Doramapimod is 527.29 g/mol.
Where can I buy Doramapimod?
You can request a quote for Doramapimod directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doramapimod?
Yes, KEHONG BIO provides custom synthesis services for Doramapimod and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.