(3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
TL;DR: (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1214631-19-2) is a chemical compound with molecular formula C18H17NO6S and molecular weight 375.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
| Molecular Formula | C18H17NO6S |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 1.658 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.07767 |
| Heavy Atoms | 26 |
| Complexity | 971.39667 |
Chemical Identifiers
| CAS Number | 1214631-19-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)O |
Product Overview
(3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1214631-19-2), with molecular formula C18H17NO6S and molecular weight 375.08 g/mol. IUPAC: (3S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Property Insights of (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
The XLogP value of 1.658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic 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 (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The CAS number of (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 1214631-19-2.
What is the molecular formula of (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular formula of (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is C18H17NO6S.
What is the molecular weight of (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
The molecular weight of (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 375.08 g/mol.
Where can I buy (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
You can request a quote for (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-2-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.