(E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid
TL;DR: (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid (CAS 327093-67-4) is a chemical compound with molecular formula C19H19NO4S and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid
Also Known As: IFLab1_004467, IDI1_010222, (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid, F1012-0075, (2E)-3-[4-methyl-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)phenyl]prop-2-enoic acid
| Molecular Formula | C19H19NO4S |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 2.83982 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.1035 |
| Heavy Atoms | 25 |
| Complexity | 947.6465 |
Chemical Identifiers
| CAS Number | 327093-67-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
(E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid (CAS 327093-67-4), with molecular formula C19H19NO4S and molecular weight 357.10 g/mol. IUPAC: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]prop-2-enoic acid.
Chemical Property Profile of (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid
Property Insights of (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid
The XLogP value of 2.83982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid. Following Lipinski's Rule of Five, (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid 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 (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid?
The CAS number of (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid is 327093-67-4.
What is the molecular formula of (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid?
The molecular formula of (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid is C19H19NO4S.
What is the molecular weight of (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid?
The molecular weight of (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid is 357.10 g/mol.
Where can I buy (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid?
You can request a quote for (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4-methylphenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.