![1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid structure](/static/products/103/1030938-58-9.png)
1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
TL;DR: 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 1030938-58-9) is a chemical compound with molecular formula C28H25N3O4S2 and molecular weight 531.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-6-methoxy-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
| Molecular Formula | C28H25N3O4S2 |
|---|---|
| Molecular Weight | 531.13 g/mol |
| LogP | 5.7754 |
| Topological Polar Surface Area | 96.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.12866 |
| Heavy Atoms | 37 |
| Complexity | 1593.8516 |
Chemical Identifiers
| CAS Number | 1030938-58-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2CC(NC3C4=CC(=C(C=C4)OC)CSC5=NC6=CC=CC=C6S5)C(=O)O |
Product Overview
1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 1030938-58-9), with molecular formula C28H25N3O4S2 and molecular weight 531.13 g/mol. IUPAC: 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid.
Chemical Property Profile of 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Property Insights of 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
The XLogP value of 5.7754 indicates that 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-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
Frequently Asked Questions
What is the CAS number of 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The CAS number of 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 1030938-58-9.
What is the molecular formula of 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The molecular formula of 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is C28H25N3O4S2.
What is the molecular weight of 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
The molecular weight of 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 531.13 g/mol.
Where can I buy 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
You can request a quote for 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-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 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.