RP 46166
TL;DR: RP 46166 (CAS 94342-73-1) is a chemical compound with molecular formula C20H20ClN5O5S2 and molecular weight 509.06 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)-4,5-dioxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate
Also Known As: RP 46166, [6-(7-chloro-1,8-naphthyridin-2-yl)-4,5-dioxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate, 1-Piperazinecarboxylic acid, 4-methyl-, 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl ester, S-oxide, 6-(7-Chloro-1,8-naphthyridin-2-yl)-1,7-dioxo-1,2,3,5,6,7-hexahydro-1lambda~4~-[1,4]dithiino[2,3-c]pyrrol-5-yl 1-methyl-1-oxo-1lambda~5~-piperazine-4-carboxylate, 6-(7-Chloro-1,8-naphthyridin-2-yl)-1,7-dioxo-1,2,3,5,6,7-hexahydro-1lambda~4~-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methyl-4-oxo-4lambda~5~-piperazine-1-carboxylate
| Molecular Formula | C20H20ClN5O5S2 |
|---|---|
| Molecular Weight | 509.06 g/mol |
| LogP | 2.0596 |
| Topological Polar Surface Area | 115.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 509.05945 |
| Heavy Atoms | 33 |
| Complexity | 1212.5487 |
Chemical Identifiers
| CAS Number | 94342-73-1 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)S(=O)CCS3)[O-] |
Product Overview
RP 46166 (CAS 94342-73-1), with molecular formula C20H20ClN5O5S2 and molecular weight 509.06 g/mol. IUPAC: [6-(7-chloro-1,8-naphthyridin-2-yl)-4,5-dioxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate.
Chemical Property Profile of RP 46166
Property Insights of RP 46166
The XLogP value of 2.0596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RP 46166. The TPSA of 115.76 Ų falls within the moderate polarity range, balancing permeability and solubility for RP 46166. Following Lipinski's Rule of Five, RP 46166 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RP 46166?
The CAS number of RP 46166 is 94342-73-1.
What is the molecular formula of RP 46166?
The molecular formula of RP 46166 is C20H20ClN5O5S2.
What is the molecular weight of RP 46166?
The molecular weight of RP 46166 is 509.06 g/mol.
Where can I buy RP 46166?
You can request a quote for RP 46166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RP 46166?
Yes, KEHONG BIO provides custom synthesis services for RP 46166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.