1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-
TL;DR: 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl- (CAS 110766-35-3) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
Also Known As: 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-, 4,5-Dihydro-1-methyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine, 1-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine, 1-Methyl-4,5-dihydro[1,2,4]triazolo[3,4-d][1,5]benzothiazepine, BRN 5027583
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.22392 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 504.28418 |
Chemical Identifiers
| CAS Number | 110766-35-3 |
|---|---|
| SMILES | CC1=NN=C2N1C3=CC=CC=C3SCC2 |
Product Overview
1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl- (CAS 110766-35-3), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 1-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine.
Chemical Property Profile of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-
Property Insights of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-
The XLogP value of 2.22392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-. With a topological polar surface area (TPSA) of 30.71 Ų, 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl- 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 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-?
The CAS number of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl- is 110766-35-3.
What is the molecular formula of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-?
The molecular formula of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl- is C11H11N3S.
What is the molecular weight of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-?
The molecular weight of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl- is 217.07 g/mol.
Where can I buy 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-?
You can request a quote for 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.