RefChem:104062
TL;DR: RefChem:104062 (CAS 53788-25-3) is a chemical compound with molecular formula C14H10ClN3O2S2 and molecular weight 350.99 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-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-5-one
Also Known As: EINECS 258-780-5, 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-hydroxy-5H-1,4-dithiino[2,3-c]pyrrol-5-one, 6-(7-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-hydroxy-5H-1,4-dithiino(2,3-c)pyrrol-5-one, 6- -2,3,6,7-tetrahydro-7-hydroxy-5H-1,4-dithiino[2,3-c]pyrrol-5-one, 6-(7-chloro-1,8-naphthyridin-2-yl)-7-hydroxy-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-5-one
| Molecular Formula | C14H10ClN3O2S2 |
|---|---|
| Molecular Weight | 350.99 g/mol |
| LogP | 2.6398 |
| Topological Polar Surface Area | 66.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.9903 |
| Heavy Atoms | 22 |
| Complexity | 826.84015 |
Chemical Identifiers
| CAS Number | 53788-25-3 |
|---|---|
| SMILES | C1CSC2=C(S1)C(N(C2=O)C3=NC4=C(C=C3)C=CC(=N4)Cl)O |
Product Overview
RefChem:104062 (CAS 53788-25-3), with molecular formula C14H10ClN3O2S2 and molecular weight 350.99 g/mol. IUPAC: 6-(7-chloro-1,8-naphthyridin-2-yl)-7-hydroxy-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-5-one.
Chemical Property Profile of RefChem:104062
Property Insights of RefChem:104062
The XLogP value of 2.6398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:104062. The TPSA of 66.32 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:104062. Following Lipinski's Rule of Five, RefChem:104062 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:104062?
The CAS number of RefChem:104062 is 53788-25-3.
What is the molecular formula of RefChem:104062?
The molecular formula of RefChem:104062 is C14H10ClN3O2S2.
What is the molecular weight of RefChem:104062?
The molecular weight of RefChem:104062 is 350.99 g/mol.
Where can I buy RefChem:104062?
You can request a quote for RefChem:104062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:104062?
Yes, KEHONG BIO provides custom synthesis services for RefChem:104062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.