RP 54745
TL;DR: RP 54745 (CAS 135330-08-4) is a chemical compound with molecular formula C13H12ClNOS2 and molecular weight 297.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one
Also Known As: RP 54745, 4-Chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-3H-1,2-dithiol-3-one, RP 54745;RP-54745, 4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one, 4-Chloro-5-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-3H-1,2-dithiol-3-one
| Molecular Formula | C13H12ClNOS2 |
|---|---|
| Molecular Weight | 297.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.00488 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 135330-08-4 |
|---|---|
| SMILES | CC1C2=CC=CC=C2CCN1C3=C(C(=O)SS3)Cl |
| InChIKey | BEJJGVDFQORITE-UHFFFAOYSA-N |
Product Overview
RP 54745 (CAS 135330-08-4), with molecular formula C13H12ClNOS2 and molecular weight 297.00 g/mol. IUPAC: 4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one.
Chemical Property Profile of RP 54745
Property Insights of RP 54745
The XLogP value of 3.7 indicates that RP 54745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RP 54745. Following Lipinski's Rule of Five, RP 54745 has 0 hydrogen bond donor(s) and 4 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 RP 54745?
The CAS number of RP 54745 is 135330-08-4.
What is the molecular formula of RP 54745?
The molecular formula of RP 54745 is C13H12ClNOS2.
What is the molecular weight of RP 54745?
The molecular weight of RP 54745 is 297.00 g/mol.
Where can I buy RP 54745?
You can request a quote for RP 54745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RP 54745?
Yes, KEHONG BIO provides custom synthesis services for RP 54745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.