1-Carba-1-deazariboflavin
TL;DR: 1-Carba-1-deazariboflavin (CAS 64183-66-0) is a chemical compound with molecular formula C18H21N3O6 and molecular weight 375.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-5-(2,3,4,5-tetrahydroxypentyl)pyrido[4,3-b]quinoxaline-1,3-dione
Also Known As: 1-Deazariboflavin, 1-deaza RF, 1-Carba-1-deazariboflavin, 7,8-dimethyl-5-(2,3,4,5-tetrahydroxypentyl)pyrido[4,3-b]quinoxaline-1,3-dione, 1-deoxy-1-(7,8-dimethyl-1,3-dioxo-2,3-dihydropyrido[3,4-b]quinoxalin-5(1h)-yl)pentitol
| Molecular Formula | C18H21N3O6 |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.14304 |
| Heavy Atoms | 27 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 64183-66-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=CC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O |
| InChIKey | VVSMAKSRHMDDGV-UHFFFAOYSA-N |
Product Overview
1-Carba-1-deazariboflavin (CAS 64183-66-0), with molecular formula C18H21N3O6 and molecular weight 375.14 g/mol. IUPAC: 7,8-dimethyl-5-(2,3,4,5-tetrahydroxypentyl)pyrido[4,3-b]quinoxaline-1,3-dione.
Chemical Property Profile of 1-Carba-1-deazariboflavin
Property Insights of 1-Carba-1-deazariboflavin
The XLogP value of -1.0 indicates that 1-Carba-1-deazariboflavin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 1-Carba-1-deazariboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Carba-1-deazariboflavin has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 64183-66-0.
What is the molecular formula of 1-Carba-1-deazariboflavin?
The molecular formula of 1-Carba-1-deazariboflavin is C18H21N3O6.
What is the molecular weight of 1-Carba-1-deazariboflavin?
The molecular weight of 1-Carba-1-deazariboflavin is 375.14 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.