5-Deazariboflavin
TL;DR: 5-Deazariboflavin (CAS 22158-42-5) 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-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pyrimido[4,5-b]quinoline-2,4-dione
Also Known As: 5-Deazariboflavin, 5-Carbariboflavin, 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pyrimido[4,5-b]quinoline-2,4-dione, 1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2h)-yl)-d-ribitol
| Molecular Formula | C18H21N3O6 |
|---|---|
| Molecular Weight | 375.14 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.14304 |
| Heavy Atoms | 27 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 22158-42-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O |
| InChIKey | XHELUUHUHSGXOC-ZNMIVQPWSA-N |
Product Overview
5-Deazariboflavin (CAS 22158-42-5), with molecular formula C18H21N3O6 and molecular weight 375.14 g/mol. IUPAC: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pyrimido[4,5-b]quinoline-2,4-dione.
Chemical Property Profile of 5-Deazariboflavin
Property Insights of 5-Deazariboflavin
The XLogP value of -0.9 indicates that 5-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 5-Deazariboflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Deazariboflavin has 5 hydrogen bond donor(s) and 6 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 5-Deazariboflavin?
The CAS number of 5-Deazariboflavin is 22158-42-5.
What is the molecular formula of 5-Deazariboflavin?
The molecular formula of 5-Deazariboflavin is C18H21N3O6.
What is the molecular weight of 5-Deazariboflavin?
The molecular weight of 5-Deazariboflavin is 375.14 g/mol.
Where can I buy 5-Deazariboflavin?
You can request a quote for 5-Deazariboflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Deazariboflavin?
Yes, KEHONG BIO provides custom synthesis services for 5-Deazariboflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.