![methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate structure](/static/products/102/1024016-12-3.png)
methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
TL;DR: methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 1024016-12-3) is a chemical compound with molecular formula C28H25N3O3S2 and molecular weight 515.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, methyl 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate, methyl 1-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
| Molecular Formula | C28H25N3O3S2 |
|---|---|
| Molecular Weight | 515.13 g/mol |
| LogP | 5.8552 |
| Topological Polar Surface Area | 76.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.1337 |
| Heavy Atoms | 36 |
| Complexity | 1542.1761 |
Chemical Identifiers
| CAS Number | 1024016-12-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)CSC5=NC6=CC=CC=C6S5 |
Product Overview
methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 1024016-12-3), with molecular formula C28H25N3O3S2 and molecular weight 515.13 g/mol. IUPAC: methyl 1-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate.
Chemical Property Profile of methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Property Insights of methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
The XLogP value of 5.8552 indicates that methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.24 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate has 2 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 methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
The CAS number of methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 1024016-12-3.
What is the molecular formula of methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
The molecular formula of methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is C28H25N3O3S2.
What is the molecular weight of methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
The molecular weight of methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate is 515.13 g/mol.
Where can I buy methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
You can request a quote for methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.