C.I. Pigment Orange
TL;DR: C.I. Pigment Orange (CAS 12236-62-3) is a chemical compound with molecular formula C17H13ClN6O5 and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
Also Known As: PIGMENT ORANGE 36, C.I. Pigment Orange 36, Permanent Orange HL, PV Orange HL, C.I. Pigment orange
| Molecular Formula | C17H13ClN6O5 |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.0636 |
| Heavy Atoms | 29 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 12236-62-3 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | DLQMNSDNQWLFSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C.I. Pigment Orange (CAS 12236-62-3), with molecular formula C17H13ClN6O5 and molecular weight 416.06 g/mol. IUPAC: 2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
Chemical Property Profile of C.I. Pigment Orange
Property Insights of C.I. Pigment Orange
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C.I. Pigment Orange. The TPSA of 158.0 Ų indicates high polarity, suggesting C.I. Pigment Orange may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Pigment Orange has 3 hydrogen bond donor(s) and 7 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. Pigment Orange?
The CAS number of C.I. Pigment Orange is 12236-62-3.
What is the molecular formula of C.I. Pigment Orange?
The molecular formula of C.I. Pigment Orange is C17H13ClN6O5.
What is the molecular weight of C.I. Pigment Orange?
The molecular weight of C.I. Pigment Orange is 416.06 g/mol.
Where can I buy C.I. Pigment Orange?
You can request a quote for C.I. Pigment Orange directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Pigment Orange?
Yes, KEHONG BIO provides custom synthesis services for C.I. Pigment Orange and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.