J3.401.459K
TL;DR: J3.401.459K (CAS 236403-32-0) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: J3.401.459K, (3R)-1,2,3,4-Tetrahydro-2-[(4-methoxyphenyl)sulfonyl]-3-isoquinolinecarboxylic Acid, (3R)-1,2,3,4-Tetrahydro-2-(4-methoxyphenyl)sulfonyl-3-isoquinolinecarboxylic Acid, (3R)-2-(4-methoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3R)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 236403-32-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)O |
| InChIKey | SSLDMNORZOIZGF-MRXNPFEDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
J3.401.459K (CAS 236403-32-0), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: (3R)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of J3.401.459K
Property Insights of J3.401.459K
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J3.401.459K. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for J3.401.459K. Following Lipinski's Rule of Five, J3.401.459K has 1 hydrogen bond donor(s) and 6 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 J3.401.459K?
The CAS number of J3.401.459K is 236403-32-0.
What is the molecular formula of J3.401.459K?
The molecular formula of J3.401.459K is C17H17NO5S.
What is the molecular weight of J3.401.459K?
The molecular weight of J3.401.459K is 347.08 g/mol.
Where can I buy J3.401.459K?
You can request a quote for J3.401.459K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.401.459K?
Yes, KEHONG BIO provides custom synthesis services for J3.401.459K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.