C.I. PIGMENT ORANGE 13
TL;DR: C.I. PIGMENT ORANGE 13 (CAS 3520-72-7) is a chemical compound with molecular formula C32H24Cl2N8O2 and molecular weight 622.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-chloro-4-[3-chloro-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: C.I. PIGMENT ORANGE 13, 4-[[2-Chloro-4-[3-chloro-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one, 222-530-3, 4,4'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one], 4,4'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
| Molecular Formula | C32H24Cl2N8O2 |
|---|---|
| Molecular Weight | 622.14 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 622.13995 |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 3520-72-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(NN(C5=O)C6=CC=CC=C6)C)Cl)Cl |
| InChIKey | YCBLLWSXYKEKTG-UHFFFAOYSA-N |
Product Overview
C.I. PIGMENT ORANGE 13 (CAS 3520-72-7), with molecular formula C32H24Cl2N8O2 and molecular weight 622.14 g/mol. IUPAC: 4-[[2-chloro-4-[3-chloro-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]phenyl]diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of C.I. PIGMENT ORANGE 13
Property Insights of C.I. PIGMENT ORANGE 13
The XLogP value of 8.6 indicates that C.I. PIGMENT ORANGE 13 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C.I. PIGMENT ORANGE 13. Following Lipinski's Rule of Five, C.I. PIGMENT ORANGE 13 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. PIGMENT ORANGE 13?
The CAS number of C.I. PIGMENT ORANGE 13 is 3520-72-7.
What is the molecular formula of C.I. PIGMENT ORANGE 13?
The molecular formula of C.I. PIGMENT ORANGE 13 is C32H24Cl2N8O2.
What is the molecular weight of C.I. PIGMENT ORANGE 13?
The molecular weight of C.I. PIGMENT ORANGE 13 is 622.14 g/mol.
Where can I buy C.I. PIGMENT ORANGE 13?
You can request a quote for C.I. PIGMENT ORANGE 13 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 13?
Yes, KEHONG BIO provides custom synthesis services for C.I. PIGMENT ORANGE 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.