Disperse Red 90
TL;DR: Disperse Red 90 (CAS 27767-98-2) is a chemical compound with molecular formula C20H18N6O4 and molecular weight 406.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]propanoate
Also Known As: Disperse Red 90, C.I.Disperse Red 90, C.I.11117, methyl 3-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]propanoate, beta-Alanine, N-(2-cyanoethyl)-N-[4-[(2-cyano-4-nitrophenyl)azo]phenyl]-, methyl ester
| Molecular Formula | C20H18N6O4 |
|---|---|
| Molecular Weight | 406.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 406.13895 |
| Heavy Atoms | 30 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 27767-98-2 |
|---|---|
| SMILES | COC(=O)CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N |
| InChIKey | CUPYBRUIBNYSDK-UHFFFAOYSA-N |
Product Overview
Disperse Red 90 (CAS 27767-98-2), with molecular formula C20H18N6O4 and molecular weight 406.14 g/mol. IUPAC: methyl 3-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]propanoate.
Chemical Property Profile of Disperse Red 90
Property Insights of Disperse Red 90
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Disperse Red 90. The TPSA of 148.0 Ų indicates high polarity, suggesting Disperse Red 90 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disperse Red 90 has 0 hydrogen bond donor(s) and 9 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 Disperse Red 90?
The CAS number of Disperse Red 90 is 27767-98-2.
What is the molecular formula of Disperse Red 90?
The molecular formula of Disperse Red 90 is C20H18N6O4.
What is the molecular weight of Disperse Red 90?
The molecular weight of Disperse Red 90 is 406.14 g/mol.
Where can I buy Disperse Red 90?
You can request a quote for Disperse Red 90 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disperse Red 90?
Yes, KEHONG BIO provides custom synthesis services for Disperse Red 90 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.