![1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid structure](/static/products/102/1024023-12-8.webp)
1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
TL;DR: 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS 1024023-12-8) is a chemical compound with molecular formula C27H23N3O3S2 and molecular weight 501.11807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid, 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C27H23N3O3S2 |
| Molecular Weight | 501.11807 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.11807 Da |
| Heavy Atoms | 35 |
| Complexity | 759.0 |
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3)CSC5=NC6=CC=CC=C6S5 |
| InChIKey | WGOJINLFMMHVFP-UHFFFAOYSA-N |
Chemical Property Profile of 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
Property Insights of 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
The XLogP value of 3.3 indicates that 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The CAS number of 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 1024023-12-8.
What is the molecular formula of 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular formula of 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is C27H23N3O3S2.
What is the molecular weight of 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
The molecular weight of 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid is 501.11807 g/mol.
Where can I buy 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
You can request a quote for 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.