![(S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate structure](/static/products/117/1173684-91-7.png)
(S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate
TL;DR: (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate (CAS 1173684-91-7) is a chemical compound with molecular formula C19H24ClN5O2S and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methylpropyl]carbamate
Also Known As: (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate, tert-butyl {(1S)-1-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methylpropyl}carbamate, tert-butyl N-[(1S)-1-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methylpropyl]carbamate
| Molecular Formula | C19H24ClN5O2S |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 4.5114 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.1339 |
| Heavy Atoms | 28 |
| Complexity | 886.71924 |
Chemical Identifiers
| CAS Number | 1173684-91-7 |
|---|---|
| SMILES | CC(C)[C@@H](C1=NN=C2N1N=C(CS2)C3=CC=C(C=C3)Cl)NC(=O)OC(C)(C)C |
Product Overview
(S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate (CAS 1173684-91-7), with molecular formula C19H24ClN5O2S and molecular weight 421.13 g/mol. IUPAC: tert-butyl N-[(1S)-1-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methylpropyl]carbamate.
Chemical Property Profile of (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate
Property Insights of (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate
The XLogP value of 4.5114 indicates that (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate has 1 hydrogen bond donor(s) and 6 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 (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate?
The CAS number of (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate is 1173684-91-7.
What is the molecular formula of (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate?
The molecular formula of (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate is C19H24ClN5O2S.
What is the molecular weight of (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate?
The molecular weight of (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate is 421.13 g/mol.
Where can I buy (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate?
You can request a quote for (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (1-(6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)-2-methylpropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.