1-Carba-1-deazariboflavin
TL;DR: 1-Carba-1-deazariboflavin (CAS 63589-49-1) is a chemical compound with molecular formula C40H60Cl4N10Zn and molecular weight 884.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
zinc;bis(4-[(2-cyclohexyl-1-methylpyrazol-1-ium-3-yl)diazenyl]-N,N-diethylaniline);tetrachloride
Also Known As: 1-Carba-1-deazariboflavin, 1-cyclohexyl-5-{(e)-[4-(diethylamino)phenyl]diazenyl}-2-methyl-1h-pyrazol-2-ium zinc chloride(2:1:4), bis[2-Cyclohexyl-3-[[4-(diethylamino)phenyl]azo]-1-methyl-1H-pyrazolium] tetrachlorozincate, 1H-Pyrazolium, 2-cyclohexyl-3-((4-(diethylamino)phenyl)azo)-1-methyl-, (beta-4)-tetrachlorozincate(2-) (2:1), 1H-Pyrazolium, 2-cyclohexyl-3-((4-(diethylamino)phenyl)azo)-1-methyl-, (T-4)-tetrachlorozincate(2-) (2:1)
| Molecular Formula | C40H60Cl4N10Zn |
|---|---|
| Molecular Weight | 884.30 g/mol |
| LogP | -1.83 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 886.3018 |
| Heavy Atoms | 55 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 63589-49-1 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2C3CCCCC3)C.CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2C3CCCCC3)C.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2] |
| InChIKey | WSQCPYOSMNKQCW-UHFFFAOYSA-J |
Product Overview
1-Carba-1-deazariboflavin (CAS 63589-49-1), with molecular formula C40H60Cl4N10Zn and molecular weight 884.30 g/mol. IUPAC: zinc;bis(4-[(2-cyclohexyl-1-methylpyrazol-1-ium-3-yl)diazenyl]-N,N-diethylaniline);tetrachloride.
Chemical Property Profile of 1-Carba-1-deazariboflavin
Property Insights of 1-Carba-1-deazariboflavin
The XLogP value of -1.83 indicates that 1-Carba-1-deazariboflavin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carba-1-deazariboflavin. Following Lipinski's Rule of Five, 1-Carba-1-deazariboflavin has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Carba-1-deazariboflavin?
The CAS number of 1-Carba-1-deazariboflavin is 63589-49-1.
What is the molecular formula of 1-Carba-1-deazariboflavin?
The molecular formula of 1-Carba-1-deazariboflavin is C40H60Cl4N10Zn.
What is the molecular weight of 1-Carba-1-deazariboflavin?
The molecular weight of 1-Carba-1-deazariboflavin is 884.30 g/mol.
Where can I buy 1-Carba-1-deazariboflavin?
You can request a quote for 1-Carba-1-deazariboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Carba-1-deazariboflavin?
Yes, KEHONG BIO provides custom synthesis services for 1-Carba-1-deazariboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.