![1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride structure](/static/products/104/1049787-93-0.png)
1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
TL;DR: 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride (CAS 1049787-93-0) is a chemical compound with molecular formula C26H24ClN3OS2 and molecular weight 493.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-methoxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]methylsulfanyl]-1,3-benzothiazole;hydrochloride
Also Known As: 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride, 2-((2-methoxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzyl)thio)benzo[d]thiazole hydrochloride, 2-[[2-methoxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]methylsulfanyl]-1,3-benzothiazole hydrochloride
| Molecular Formula | C26H24ClN3OS2 |
|---|---|
| Molecular Weight | 493.10 g/mol |
| LogP | 6.7354 |
| Topological Polar Surface Area | 49.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.10492 |
| Heavy Atoms | 33 |
| Complexity | 1394.891 |
Chemical Identifiers
| CAS Number | 1049787-93-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)CSC5=NC6=CC=CC=C6S5.Cl |
Product Overview
1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride (CAS 1049787-93-0), with molecular formula C26H24ClN3OS2 and molecular weight 493.10 g/mol. IUPAC: 2-[[2-methoxy-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]methylsulfanyl]-1,3-benzothiazole;hydrochloride.
Chemical Property Profile of 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
Property Insights of 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
The XLogP value of 6.7354 indicates that 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.94 Ų, 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride has 2 hydrogen bond donor(s) and 5 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-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride?
The CAS number of 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride is 1049787-93-0.
What is the molecular formula of 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride?
The molecular formula of 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride is C26H24ClN3OS2.
What is the molecular weight of 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride?
The molecular weight of 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride is 493.10 g/mol.
Where can I buy 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride?
You can request a quote for 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.