4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine
TL;DR: 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine (CAS 110766-40-0) is a chemical compound with molecular formula C17H14ClN3S and molecular weight 327.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-5-methyl-1-phenyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine
Also Known As: 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine, 1,2,4-Triazolo(3,4-d)-1,5-benzothiazepine, 4,5-dihydro-9-chloro-5-methyl-1-phenyl-, 9-chloro-5-methyl-1-phenyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine, 9-Chloro-5-methyl-1-phenyl-4,5-dihydro[1,2,4]triazolo[3,4-d][1,5]benzothiazepine, RefChem:215199
| Molecular Formula | C17H14ClN3S |
|---|---|
| Molecular Weight | 327.06 g/mol |
| LogP | 4.6244 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.0597 |
| Heavy Atoms | 22 |
| Complexity | 829.17535 |
Chemical Identifiers
| CAS Number | 110766-40-0 |
|---|---|
| SMILES | CC1CC2=NN=C(N2C3=C(S1)C=CC(=C3)Cl)C4=CC=CC=C4 |
Product Overview
4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine (CAS 110766-40-0), with molecular formula C17H14ClN3S and molecular weight 327.06 g/mol. IUPAC: 9-chloro-5-methyl-1-phenyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzothiazepine.
Chemical Property Profile of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine
Property Insights of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine
The XLogP value of 4.6244 indicates that 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine 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 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine?
The CAS number of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine is 110766-40-0.
What is the molecular formula of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine?
The molecular formula of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine is C17H14ClN3S.
What is the molecular weight of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine?
The molecular weight of 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine is 327.06 g/mol.
Where can I buy 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine?
You can request a quote for 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-9-chloro-5-methyl-1-phenyl-1,2,4-triazolo(3,4-d)-1,5-benzothiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.