Copper benzochlorin
TL;DR: Copper benzochlorin (CAS 145582-83-8) is a chemical compound with molecular formula C42H52ClCuN5 and molecular weight 724.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;N,N-dimethyl-1-(12,13,17,18,22,23,27,27-octaethyl-8,24,25-triaza-26-azanidahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1(24),2(7),3,5,8,11,13,15,17,19(25),20,22-dodecaen-10-ylidene)methanamine;chloride
Also Known As: Copper benzochlorin, Cds1 photosensitizer, Copper(II) alpha-meso-N,N'-dimethyloctaethylbenzochlorin iminium chloride, Copper(1+), (N-methyl-N-((5,6,10,11,15,16,22,22-octaethyl-4,7:14,17-diimino-2,21-methano-9,12-nitrilo-12H-1-benzazacyclononadecin-3-yl)methylene)methanaminivmato(2-))-, chloride, (SP-4-1)-, copper;N,N-dimethyl-1-(12,13,17,18,22,23,27,27-octaethyl-8,24,25-triaza-26-azanidahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1(24),2(7),3,5,8,11,13,15,17,19(25),20,22-dodecaen-10-ylidene)methanamine;chloride
| Molecular Formula | C42H52ClCuN5 |
|---|---|
| Molecular Weight | 724.32 g/mol |
| LogP | 7.2456 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 724.32074 |
| Heavy Atoms | 49 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 145582-83-8 |
|---|---|
| SMILES | CCC1=C(C2=NC1=CC3=C(C(=C([N-]3)C(=CN(C)C)C4=NC5=C(C=CC=C5C4(CC)CC)C6=NC(=C2)C(=C6CC)CC)CC)CC)CC.[Cl-].[Cu+2] |
| InChIKey | RSDZGRLHEQWQBK-UHFFFAOYSA-M |
Product Overview
Copper benzochlorin (CAS 145582-83-8), with molecular formula C42H52ClCuN5 and molecular weight 724.32 g/mol. IUPAC: copper;N,N-dimethyl-1-(12,13,17,18,22,23,27,27-octaethyl-8,24,25-triaza-26-azanidahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1(24),2(7),3,5,8,11,13,15,17,19(25),20,22-dodecaen-10-ylidene)methanamine;chloride.
Chemical Property Profile of Copper benzochlorin
Property Insights of Copper benzochlorin
The XLogP value of 7.2456 indicates that Copper benzochlorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, Copper benzochlorin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Copper benzochlorin has 0 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 Copper benzochlorin?
The CAS number of Copper benzochlorin is 145582-83-8.
What is the molecular formula of Copper benzochlorin?
The molecular formula of Copper benzochlorin is C42H52ClCuN5.
What is the molecular weight of Copper benzochlorin?
The molecular weight of Copper benzochlorin is 724.32 g/mol.
Where can I buy Copper benzochlorin?
You can request a quote for Copper benzochlorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Copper benzochlorin?
Yes, KEHONG BIO provides custom synthesis services for Copper benzochlorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.