4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
TL;DR: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CAS 708232-40-0) is a chemical compound with molecular formula C27H29N3O3S and molecular weight 475.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
Also Known As: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide, 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidinosulfonylphenyl)benzamide, 4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]benzamide, 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
| Molecular Formula | C27H29N3O3S |
|---|---|
| Molecular Weight | 475.19 g/mol |
| LogP | 4.2817 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.19296 |
| Heavy Atoms | 34 |
| Complexity | 1265.2323 |
Chemical Identifiers
| CAS Number | 708232-40-0 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4 |
Product Overview
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CAS 708232-40-0), with molecular formula C27H29N3O3S and molecular weight 475.19 g/mol. IUPAC: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
Chemical Property Profile of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
Property Insights of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
The XLogP value of 4.2817 indicates that 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide. Following Lipinski's Rule of Five, 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has 1 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 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The CAS number of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is 708232-40-0.
What is the molecular formula of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The molecular formula of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is C27H29N3O3S.
What is the molecular weight of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The molecular weight of 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is 475.19 g/mol.
Where can I buy 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
You can request a quote for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.