1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone
TL;DR: 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone (CAS 677304-77-7) is a chemical compound with molecular formula C18H18N4S and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]thiourea
Also Known As: 1-(3-methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone, [[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]thiourea, 2-({1-[(3-Methylphenyl)methyl]-1H-indol-3-yl}methylidene)hydrazine-1-carbothioamide, 2-[[1-[(3-Methylphenyl)methyl]-1H-indol-3-yl]methylene]hydrazinecarbothioamide
| Molecular Formula | C18H18N4S |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 3.16512 |
| Topological Polar Surface Area | 55.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.1252 |
| Heavy Atoms | 23 |
| Complexity | 879.6139 |
Chemical Identifiers
| CAS Number | 677304-77-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=NNC(=S)N |
Product Overview
1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone (CAS 677304-77-7), with molecular formula C18H18N4S and molecular weight 322.13 g/mol. IUPAC: [[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]thiourea.
Chemical Property Profile of 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone
Property Insights of 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone
The XLogP value of 3.16512 indicates that 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.34 Ų, 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone has 2 hydrogen bond donor(s) and 2 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 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone?
The CAS number of 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone is 677304-77-7.
What is the molecular formula of 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone?
The molecular formula of 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone is C18H18N4S.
What is the molecular weight of 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone?
The molecular weight of 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone is 322.13 g/mol.
Where can I buy 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone?
You can request a quote for 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylbenzyl)indole-3-carboxaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.