Reactive Yellow MERL
TL;DR: Reactive Yellow MERL (CAS 86293-57-4) is a chemical compound with molecular formula C28H24ClN9O16S5 and molecular weight 936.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[2-(carbamoylamino)-4-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
Also Known As: Reactive Yellow MERL, 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid, 7-[[4-[[4-[[3-[[2-(Sulfooxy)ethyl]sulfonyl]phenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-ureidophenyl]azo]naphthalene-1,3,6-trissulfonic acid, 7-{2-[2-(carbamoylamino)-4-{[4-chloro-6-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}amino)-1,3,5-triazin-2-yl]amino}phenyl]diazen-1-yl}naphthalene-1,3,6-trisulfonic acid
| Molecular Formula | C28H24ClN9O16S5 |
|---|---|
| Molecular Weight | 936.96 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 445.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 15 |
| Exact Mass | 936.9633 |
| Heavy Atoms | 59 |
| Complexity | 2080.0 |
Chemical Identifiers
| CAS Number | 86293-57-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)CCOS(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N |
| InChIKey | BLYVOCSVMBEJLS-UHFFFAOYSA-N |
Product Overview
Reactive Yellow MERL (CAS 86293-57-4), with molecular formula C28H24ClN9O16S5 and molecular weight 936.96 g/mol. IUPAC: 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[3-(2-sulfooxyethylsulfonyl)anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid.
Chemical Property Profile of Reactive Yellow MERL
Property Insights of Reactive Yellow MERL
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Reactive Yellow MERL. The TPSA of 445.0 Ų indicates high polarity, suggesting Reactive Yellow MERL may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Reactive Yellow MERL has 8 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Reactive Yellow MERL?
The CAS number of Reactive Yellow MERL is 86293-57-4.
What is the molecular formula of Reactive Yellow MERL?
The molecular formula of Reactive Yellow MERL is C28H24ClN9O16S5.
What is the molecular weight of Reactive Yellow MERL?
The molecular weight of Reactive Yellow MERL is 936.96 g/mol.
Where can I buy Reactive Yellow MERL?
You can request a quote for Reactive Yellow MERL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reactive Yellow MERL?
Yes, KEHONG BIO provides custom synthesis services for Reactive Yellow MERL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.