![3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid structure](/static/products/3270/327094-10-0.webp)
3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid
TL;DR: 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid (CAS 327094-10-0) is a chemical compound with molecular formula C20H21NO6S and molecular weight 403.11 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)-4,5-dimethoxyphenyl]prop-2-enoic acid
Also Known As: 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid, (E)-3-(3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-4,5-dimethoxyphenyl)acrylic acid, (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid, 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoic Acid, (2E)-3-[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid
| Molecular Formula | C20H21NO6S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 2.5486 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.10895 |
| Heavy Atoms | 28 |
| Complexity | 1028.9866 |
Chemical Identifiers
| CAS Number | 327094-10-0 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC3=CC=CC=C3C2)OC |
Product Overview
3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid (CAS 327094-10-0), with molecular formula C20H21NO6S and molecular weight 403.11 g/mol. IUPAC: (E)-3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoic acid.
Chemical Property Profile of 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid
Property Insights of 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid
The XLogP value of 2.5486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid. Following Lipinski's Rule of Five, 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid has 1 hydrogen bond donor(s) and 5 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 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid?
The CAS number of 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid is 327094-10-0.
What is the molecular formula of 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid?
The molecular formula of 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid is C20H21NO6S.
What is the molecular weight of 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid?
The molecular weight of 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid is 403.11 g/mol.
Where can I buy 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid?
You can request a quote for 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(3,4-dihydro-2(1H)-isoquinolinylsulfonyl)-4,5-dimethoxyphenyl]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.