C.I.Basic Orange 21
TL;DR: C.I.Basic Orange 21 (CAS 3056-93-7) is a chemical compound with molecular formula C22H23ClN2 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium chloride
Also Known As: Astrazon Orange G, C.I.Basic Orange 21, C.I. BASIC ORANGE 21, 1,3,3-trimethyl-2-[(1E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium chloride, 1,3,3-Trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethen-1-yl]-3H-indol-1-ium chloride
| Molecular Formula | C22H23ClN2 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.15497 |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 3056-93-7 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C=CC3=[N+](C4=CC=CC=C4C3(C)C)C.[Cl-] |
| InChIKey | ZOMLUNRKXJYKPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I.Basic Orange 21 (CAS 3056-93-7), with molecular formula C22H23ClN2 and molecular weight 350.15 g/mol. IUPAC: 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium chloride.
Chemical Property Profile of C.I.Basic Orange 21
Property Insights of C.I.Basic Orange 21
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I.Basic Orange 21. With a topological polar surface area (TPSA) of 18.8 Ų, C.I.Basic Orange 21 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C.I.Basic Orange 21 has 1 hydrogen bond donor(s) and 1 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 C.I.Basic Orange 21?
The CAS number of C.I.Basic Orange 21 is 3056-93-7.
What is the molecular formula of C.I.Basic Orange 21?
The molecular formula of C.I.Basic Orange 21 is C22H23ClN2.
What is the molecular weight of C.I.Basic Orange 21?
The molecular weight of C.I.Basic Orange 21 is 350.15 g/mol.
Where can I buy C.I.Basic Orange 21?
You can request a quote for C.I.Basic Orange 21 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I.Basic Orange 21?
Yes, KEHONG BIO provides custom synthesis services for C.I.Basic Orange 21 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.