5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine
TL;DR: 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine (CAS 7404-23-1) is a chemical compound with molecular formula C19H21NO2S and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine
Also Known As: 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine, 5-(phenylsulfonyl)-2,3,4,4a,6,10b-hexahydro-1h-phenanthridine, 5-(BENZENESULFONYL)-1,2,3,4,4A,5,6,10B-OCTAHYDROPHENANTHRIDINE
| Molecular Formula | C19H21NO2S |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.1293 |
| Heavy Atoms | 23 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 7404-23-1 |
|---|---|
| SMILES | C1CCC2C(C1)C3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4 |
| InChIKey | OXVHKPMRPCXWBV-UHFFFAOYSA-N |
Product Overview
5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine (CAS 7404-23-1), with molecular formula C19H21NO2S and molecular weight 327.13 g/mol. IUPAC: 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine.
Chemical Property Profile of 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine
Property Insights of 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine
The XLogP value of 3.8 indicates that 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine has 0 hydrogen bond donor(s) and 3 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 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine?
The CAS number of 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine is 7404-23-1.
What is the molecular formula of 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine?
The molecular formula of 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine is C19H21NO2S.
What is the molecular weight of 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine?
The molecular weight of 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine is 327.13 g/mol.
Where can I buy 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine?
You can request a quote for 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzenesulfonyl)-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.