ChemDiv3_014968
TL;DR: ChemDiv3_014968 (CAS 1008487-75-9) is a chemical compound with molecular formula C23H21FN2O3S and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: ChemDiv3_014968, EX-A6562, N-Benzyl-2-((4-fluorophenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, BAS 01923080, 2-(4-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid b
| Molecular Formula | C23H21FN2O3S |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 3.2577 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.1257 |
| Heavy Atoms | 30 |
| Complexity | 1148.5804 |
Chemical Identifiers
| CAS Number | 1008487-75-9 |
|---|---|
| SMILES | C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC=CC=C4 |
Product Overview
ChemDiv3_014968 (CAS 1008487-75-9), with molecular formula C23H21FN2O3S and molecular weight 424.13 g/mol. IUPAC: N-benzyl-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of ChemDiv3_014968
Property Insights of ChemDiv3_014968
The XLogP value of 3.2577 indicates that ChemDiv3_014968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_014968. Following Lipinski's Rule of Five, ChemDiv3_014968 has 1 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 ChemDiv3_014968?
The CAS number of ChemDiv3_014968 is 1008487-75-9.
What is the molecular formula of ChemDiv3_014968?
The molecular formula of ChemDiv3_014968 is C23H21FN2O3S.
What is the molecular weight of ChemDiv3_014968?
The molecular weight of ChemDiv3_014968 is 424.13 g/mol.
Where can I buy ChemDiv3_014968?
You can request a quote for ChemDiv3_014968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014968?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.