4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide
TL;DR: 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide (CAS 849034-35-1) is a chemical compound with molecular formula C18H25ClN2O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-oxopropyl]-4-chlorobenzenesulfonamide
Also Known As: 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide, 4-chloro-N-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]benzenesulfonamide, N-[3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-oxopropyl]-4-chlorobenzenesulfonamide
| Molecular Formula | C18H25ClN2O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.12234 |
| Heavy Atoms | 26 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 849034-35-1 |
|---|---|
| SMILES | C1CCC2(CCN(CC2C1)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl)O |
| InChIKey | HBTFMZAYDZJSMZ-UHFFFAOYSA-N |
Product Overview
4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide (CAS 849034-35-1), with molecular formula C18H25ClN2O4S and molecular weight 400.12 g/mol. IUPAC: N-[3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-oxopropyl]-4-chlorobenzenesulfonamide.
Chemical Property Profile of 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide
Property Insights of 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide has 2 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 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide?
The CAS number of 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide is 849034-35-1.
What is the molecular formula of 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide?
The molecular formula of 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide is C18H25ClN2O4S.
What is the molecular weight of 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide?
The molecular weight of 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide is 400.12 g/mol.
Where can I buy 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide?
You can request a quote for 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.