![1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole structure](/static/products/758/758701-77-8.png)
1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole
TL;DR: 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole (CAS 758701-77-8) is a chemical compound with molecular formula C19H17N3S and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-[(2-methylindol-1-yl)methyl]-1,3,4-thiadiazole
Also Known As: AS-662/43412946, 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole, 2-benzyl-5-[(2-methylindol-1-yl)methyl]-1,3,4-thiadiazole
| Molecular Formula | C19H17N3S |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 4.44032 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.11432 |
| Heavy Atoms | 23 |
| Complexity | 937.58044 |
Chemical Identifiers
| CAS Number | 758701-77-8 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2N1CC3=NN=C(S3)CC4=CC=CC=C4 |
Product Overview
1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole (CAS 758701-77-8), with molecular formula C19H17N3S and molecular weight 319.11 g/mol. IUPAC: 2-benzyl-5-[(2-methylindol-1-yl)methyl]-1,3,4-thiadiazole.
Chemical Property Profile of 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole
Property Insights of 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole
The XLogP value of 4.44032 indicates that 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole has 0 hydrogen bond donor(s) and 3 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-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole?
The CAS number of 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole is 758701-77-8.
What is the molecular formula of 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole?
The molecular formula of 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole is C19H17N3S.
What is the molecular weight of 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole?
The molecular weight of 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole is 319.11 g/mol.
Where can I buy 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole?
You can request a quote for 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(5-benzyl-1,3,4-thiadiazol-2-yl)methyl]-2-methyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.