酞菁
TL;DR: 酞菁 (CAS 574-93-6) is a chemical compound with molecular formula C32H18N8 and molecular weight 514.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酞菁
2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-nonadecaene
Also Known As: PHTHALOCYANINE, 29H,31H-Phthalocyanine, 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1(3),(1)?.1(1)(2),(1)?.1(2)(1),(2)?.0?,?.0(1)(3),(1)?.0(2)(2),(2)?.0(3)(1),(3)?]tetraconta-1,3,5,7,9,12(39),13(18),14,16,19,21(38),22(27),23,25,28,30(37),31(36),32,34-nonadecaene, 2,11,20,29,37,38,39,40-Octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-nonadecaene
| Molecular Formula | C32H18N8 |
|---|---|
| Molecular Weight | 514.17 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 514.16547 |
| Heavy Atoms | 40 |
| Complexity | 917.0 |
Chemical Identifiers
| CAS Number | 574-93-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NC2=NC4=NC(=NC5=NC(=NC6=C7C=CC=CC7=C(N6)N3)C8=CC=CC=C85)C9=CC=CC=C94 |
| InChIKey | IEQIEDJGQAUEQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酞菁 (CAS 574-93-6), with molecular formula C32H18N8 and molecular weight 514.17 g/mol. IUPAC: 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(37),31,33,35-nonadecaene.
Chemical Property Profile of 酞菁
Property Insights of 酞菁
The XLogP value of 6.4 indicates that 酞菁 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 酞菁. Following Lipinski's Rule of Five, 酞菁 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 酞菁?
The CAS number of 酞菁 is 574-93-6.
What is the molecular formula of 酞菁?
The molecular formula of 酞菁 is C32H18N8.
What is the molecular weight of 酞菁?
The molecular weight of 酞菁 is 514.17 g/mol.
Where can I buy 酞菁?
You can request a quote for 酞菁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酞菁?
Yes, KEHONG BIO provides custom synthesis services for 酞菁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.