恩替诺他
TL;DR: 恩替诺他 (CAS 209783-80-2) is a chemical compound with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
恩替诺他
pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
Also Known As: Entinostat, entinostatum, Entinostat (MS-275), Entinostat, free base, MS 275
| Molecular Formula | C21H20N4O3 |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.15353 |
| Heavy Atoms | 28 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 209783-80-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3 |
| InChIKey | INVTYAOGFAGBOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
恩替诺他 (CAS 209783-80-2), with molecular formula C21H20N4O3 and molecular weight 376.15 g/mol. IUPAC: pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate.
Chemical Property Profile of 恩替诺他
Property Insights of 恩替诺他
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 恩替诺他. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 恩替诺他. Following Lipinski's Rule of Five, 恩替诺特 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 恩替诺特?
The CAS number of 恩替诺特 is 209783-80-2.
What is the molecular formula of 恩替诺特?
The molecular formula of 恩替诺特 is C21H20N4O3.
What is the molecular weight of 恩替诺特?
The molecular weight of 恩替诺特 is 376.15 g/mol.
Where can I buy 恩替诺特?
You can request a quote for 恩替诺特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 恩替诺特?
Yes, KEHONG BIO provides custom synthesis services for 恩替诺特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.