ReactiveOrange12
TL;DR: ReactiveOrange12 (CAS 35642-64-9) is a chemical compound with molecular formula C20H16ClN9O10S3 and molecular weight 672.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
Also Known As: ReactiveOrange12, Reactive orange 12, C.I.Reactive Orange 12, 7-[(e)-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazenyl]naphthalene-1,3,6-trisulfonic acid, 7-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
| Molecular Formula | C20H16ClN9O10S3 |
|---|---|
| Molecular Weight | 672.99 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 345.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 672.98706 |
| Heavy Atoms | 43 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 35642-64-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)Cl)NC(=O)N)N=NC3=CC4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | GFPPLTJOYVDEIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ReactiveOrange12 (CAS 35642-64-9), with molecular formula C20H16ClN9O10S3 and molecular weight 672.99 g/mol. IUPAC: 7-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid.
Chemical Property Profile of ReactiveOrange12
Property Insights of ReactiveOrange12
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ReactiveOrange12. The TPSA of 345.0 Ų indicates high polarity, suggesting ReactiveOrange12 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ReactiveOrange12 has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ReactiveOrange12?
The CAS number of ReactiveOrange12 is 35642-64-9.
What is the molecular formula of ReactiveOrange12?
The molecular formula of ReactiveOrange12 is C20H16ClN9O10S3.
What is the molecular weight of ReactiveOrange12?
The molecular weight of ReactiveOrange12 is 672.99 g/mol.
Where can I buy ReactiveOrange12?
You can request a quote for ReactiveOrange12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ReactiveOrange12?
Yes, KEHONG BIO provides custom synthesis services for ReactiveOrange12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.