RefChem:79649
TL;DR: RefChem:79649 (CAS 51220-42-9) is a chemical compound with molecular formula C14H11N3O5 and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydroxy-11-oxo-10,12-diaza-1-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16)-pentaene-15-carboxylate
Also Known As: Cid 6452374, 1H-2,3,5,6-Tetrahydro-5-oxo-9,10-dihydroxyimidazo(3,4,5-de)pyrimido(1,2-a)quinolinium-1-carboxylate, 1H-5,10b-Diaza-3a-azoniaacephenanthrylene, 1-carboxy-2,3,4,5-tetrahydro-8,9-dihydroxy-4-oxo-, hydroxide, inner salt, 4,5-Dihydroxy-11-oxo-10,12-diaza-1-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16)-pentaene-15-carboxylate, RefChem:79649
| Molecular Formula | C14H11N3O5 |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | -1.1238 |
| Topological Polar Surface Area | 122.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.0699 |
| Heavy Atoms | 22 |
| Complexity | 1016.8937 |
Chemical Identifiers
| CAS Number | 51220-42-9 |
|---|---|
| SMILES | C1CN2C3=C(C=C4C=C(C(=CC4=[N+]3C1C(=O)[O-])O)O)NC2=O |
Product Overview
RefChem:79649 (CAS 51220-42-9), with molecular formula C14H11N3O5 and molecular weight 301.07 g/mol. IUPAC: 4,5-dihydroxy-11-oxo-10,12-diaza-1-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16)-pentaene-15-carboxylate.
Chemical Property Profile of RefChem:79649
Property Insights of RefChem:79649
The XLogP value of -1.1238 indicates that RefChem:79649 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.26 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79649. Following Lipinski's Rule of Five, RefChem:79649 has 3 hydrogen bond donor(s) and 5 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 RefChem:79649?
The CAS number of RefChem:79649 is 51220-42-9.
What is the molecular formula of RefChem:79649?
The molecular formula of RefChem:79649 is C14H11N3O5.
What is the molecular weight of RefChem:79649?
The molecular weight of RefChem:79649 is 301.07 g/mol.
Where can I buy RefChem:79649?
You can request a quote for RefChem:79649 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79649?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79649 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.