Disperse Yellow 63
TL;DR: Disperse Yellow 63 (CAS 958829-10-2) is a chemical compound with molecular formula C25H16N4O4 and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(3-methoxypropyl)-11,16,18-trioxo-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(21),2,4,6,8,12(22),13,15(23),19-nonaene-20-carbonitrile
Also Known As: Disperse Yellow 63, Duranol Brilliant Yellow T4G, CI Disperse Yellow 63, C.I. Disperse Yellow 63, Samaron Brilliant Yellow H 7GL
| Molecular Formula | C25H16N4O4 |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.11716 |
| Heavy Atoms | 33 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 958829-10-2 |
|---|---|
| SMILES | COCCCN1C(=O)C2=C3C4=C(C=C2)C(=O)N5C6=CC=CC=C6N=C5C4=CC(=C3C1=O)C#N |
| InChIKey | RQILFETZQXVWKX-UHFFFAOYSA-N |
Product Overview
Disperse Yellow 63 (CAS 958829-10-2), with molecular formula C25H16N4O4 and molecular weight 436.12 g/mol. IUPAC: 17-(3-methoxypropyl)-11,16,18-trioxo-3,10,17-triazahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(21),2,4,6,8,12(22),13,15(23),19-nonaene-20-carbonitrile.
Chemical Property Profile of Disperse Yellow 63
Property Insights of Disperse Yellow 63
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Disperse Yellow 63. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disperse Yellow 63. Following Lipinski's Rule of Five, Disperse Yellow 63 has 0 hydrogen bond donor(s) and 6 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 Yellow 63?
The CAS number of Disperse Yellow 63 is 958829-10-2.
What is the molecular formula of Disperse Yellow 63?
The molecular formula of Disperse Yellow 63 is C25H16N4O4.
What is the molecular weight of Disperse Yellow 63?
The molecular weight of Disperse Yellow 63 is 436.12 g/mol.
Where can I buy Disperse Yellow 63?
You can request a quote for Disperse Yellow 63 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disperse Yellow 63?
Yes, KEHONG BIO provides custom synthesis services for Disperse Yellow 63 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.