Disperse Red 311
TL;DR: Disperse Red 311 (CAS 70729-65-6) is a chemical compound with molecular formula C22H24N6O9 and molecular weight 516.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
Also Known As: Disperse Red 311, HY-D0673, Methyl N-3-(acetylamino)-4-(2,4-dinitrophenyl)azophenyl-N-(3-methoxy-3-oxopropyl)-alaninate, .beta.-Alanine, N-[3-(acetylamino)-4-[(2,4-dinitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester, beta-Alanine, N-(3-(acetylamino)-4-((2,4-dinitrophenyl)azo)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
| Molecular Formula | C22H24N6O9 |
|---|---|
| Molecular Weight | 516.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 516.16046 |
| Heavy Atoms | 37 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 70729-65-6 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)N(CCC(=O)OC)CCC(=O)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | FIIPIQBWGBRMTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Disperse Red 311 (CAS 70729-65-6), with molecular formula C22H24N6O9 and molecular weight 516.16 g/mol. IUPAC: methyl 3-[3-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-N-(3-methoxy-3-oxopropyl)anilino]propanoate.
Chemical Property Profile of Disperse Red 311
Property Insights of Disperse Red 311
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Disperse Red 311. The TPSA of 201.0 Ų indicates high polarity, suggesting Disperse Red 311 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disperse Red 311 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Disperse Red 311?
The CAS number of Disperse Red 311 is 70729-65-6.
What is the molecular formula of Disperse Red 311?
The molecular formula of Disperse Red 311 is C22H24N6O9.
What is the molecular weight of Disperse Red 311?
The molecular weight of Disperse Red 311 is 516.16 g/mol.
Where can I buy Disperse Red 311?
You can request a quote for Disperse Red 311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disperse Red 311?
Yes, KEHONG BIO provides custom synthesis services for Disperse Red 311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.