1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl-
TL;DR: 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl- (CAS 110766-37-5) is a chemical compound with molecular formula C11H10BrN3S and molecular weight 294.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-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-8-bromo-1-methyl-, 4,5-Dihydro-8-bromo-1-methyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine, 8-bromo-1-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine, 8-Bromo-1-methyl-4,5-dihydro[1,2,4]triazolo[3,4-d][1,5]benzothiazepine, RefChem:215196
| Molecular Formula | C11H10BrN3S |
|---|---|
| Molecular Weight | 294.98 g/mol |
| LogP | 2.98642 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 294.97787 |
| Heavy Atoms | 16 |
| Complexity | 550.15784 |
Chemical Identifiers
| CAS Number | 110766-37-5 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(C=C3)Br)SCC2 |
Product Overview
1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl- (CAS 110766-37-5), with molecular formula C11H10BrN3S and molecular weight 294.98 g/mol. IUPAC: 8-bromo-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-8-bromo-1-methyl-
Property Insights of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl-
The XLogP value of 2.98642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-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-8-bromo-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-8-bromo-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-8-bromo-1-methyl-?
The CAS number of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl- is 110766-37-5.
What is the molecular formula of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl-?
The molecular formula of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl- is C11H10BrN3S.
What is the molecular weight of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl-?
The molecular weight of 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl- is 294.98 g/mol.
Where can I buy 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl-?
You can request a quote for 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-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-8-bromo-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-8-bromo-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.