RefChem:579022
TL;DR: RefChem:579022 (CAS 67939-30-4) is a chemical compound with molecular formula C32H2Br9Cl5CuN8 and molecular weight 1446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper 6,7,14,15,17,23,26,32,33-nonabromo-5,8,16,24,35-pentachloro-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22,24,26,28(38),29,31(36),32,34-nonadecaene
Also Known As: (Nonabromopentachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32)copper, Copper, (C,C,C,C,C,C,C,C,C-nonabromo-C,C,C,C,C-pentachloro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, Copper, (nonabromopentachloro-29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, Copper(2+) 1,4,8,10,11,16,17,24,25-nonabromo-3,9,15,18,22-pentachlorophthalocyanine-6,29-diide, Copper, [C,C,C,C,C,C,C,C,C-nonabromo-C,C,C,C,C-pentachloro-29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-
| Molecular Formula | C32H2Br9Cl5CuN8 |
|---|---|
| Molecular Weight | 1446.08 g/mol |
| LogP | 16.2544 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 1446.0791 |
| Heavy Atoms | 55 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 67939-30-4 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1Br)Br)C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C(=C(C(=C8Cl)Br)Br)Cl)C(=NC2=N3)[N-]7)C(=C(C(=C6Br)Cl)Br)Br)C9=C(C(=CC(=C94)Br)Cl)Br)Cl.[Cu+2] |
| InChIKey | DITYRYQSNPEJMJ-UHFFFAOYSA-N |
Product Overview
RefChem:579022 (CAS 67939-30-4), with molecular formula C32H2Br9Cl5CuN8 and molecular weight 1446.08 g/mol. IUPAC: copper 6,7,14,15,17,23,26,32,33-nonabromo-5,8,16,24,35-pentachloro-2,11,20,29,37,38-hexaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22,24,26,28(38),29,31(36),32,34-nonadecaene.
Chemical Property Profile of RefChem:579022
Property Insights of RefChem:579022
The XLogP value of 16.2544 indicates that RefChem:579022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:579022. Following Lipinski's Rule of Five, RefChem:579022 has 0 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 RefChem:579022?
The CAS number of RefChem:579022 is 67939-30-4.
What is the molecular formula of RefChem:579022?
The molecular formula of RefChem:579022 is C32H2Br9Cl5CuN8.
What is the molecular weight of RefChem:579022?
The molecular weight of RefChem:579022 is 1446.08 g/mol.
Where can I buy RefChem:579022?
You can request a quote for RefChem:579022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579022?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.