RefChem:104064
TL;DR: RefChem:104064 (CAS 55112-92-0) is a chemical compound with molecular formula C14H8ClN5O2 and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(7-chloro-1,8-naphthyridin-2-yl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
Also Known As: EINECS 259-483-3, 6-(7-chloro-1,8-naphthyridin-2-yl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one, 6-(7-Chloro-1,8-naphthyridin-2-yl)-6,7-dihydro-7-hydroxy-5H-pyrrolo(3,4-b)pyrazin-5-one, 6-(7-Chloro-1,8-naphthyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one, 6-(7-chloro-1,8-naphthyridin-2-yl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
| Molecular Formula | C14H8ClN5O2 |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 1.7245 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.03665 |
| Heavy Atoms | 22 |
| Complexity | 916.6287 |
Chemical Identifiers
| CAS Number | 55112-92-0 |
|---|---|
| SMILES | C1=CC(=NC2=C1C=CC(=N2)Cl)N3C(C4=NC=CN=C4C3=O)O |
Product Overview
RefChem:104064 (CAS 55112-92-0), with molecular formula C14H8ClN5O2 and molecular weight 313.04 g/mol. IUPAC: 6-(7-chloro-1,8-naphthyridin-2-yl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one.
Chemical Property Profile of RefChem:104064
Property Insights of RefChem:104064
The XLogP value of 1.7245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:104064. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:104064. Following Lipinski's Rule of Five, RefChem:104064 has 1 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 RefChem:104064?
The CAS number of RefChem:104064 is 55112-92-0.
What is the molecular formula of RefChem:104064?
The molecular formula of RefChem:104064 is C14H8ClN5O2.
What is the molecular weight of RefChem:104064?
The molecular weight of RefChem:104064 is 313.04 g/mol.
Where can I buy RefChem:104064?
You can request a quote for RefChem:104064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:104064?
Yes, KEHONG BIO provides custom synthesis services for RefChem:104064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.