Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester
TL;DR: Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester (CAS 51308-79-3) is a chemical compound with molecular formula C17H19BrN2OS and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(4-bromophenyl)methyl] N-(2-butyl-3-pyridinyl)carbamothioate
Also Known As: S-((4-Bromophenyl)methyl) O-butyl 3-pyridinylcarbonimidothioate, Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester, S-[(4-bromophenyl)methyl] N-(2-butylpyridin-3-yl)carbamothioate, S-[(4-Bromophenyl)methyl] (2-butylpyridin-3-yl)carbamothioate, Carbonimidothioic acid,3-pyridinyl-,S-((4-bromophenyl)methyl) O-butyl ester
| Molecular Formula | C17H19BrN2OS |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 5.652 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.04016 |
| Heavy Atoms | 22 |
| Complexity | 616.3109 |
Chemical Identifiers
| CAS Number | 51308-79-3 |
|---|---|
| SMILES | CCCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)Br |
Product Overview
Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester (CAS 51308-79-3), with molecular formula C17H19BrN2OS and molecular weight 378.04 g/mol. IUPAC: S-[(4-bromophenyl)methyl] N-(2-butyl-3-pyridinyl)carbamothioate.
Chemical Property Profile of Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester
Property Insights of Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester
The XLogP value of 5.652 indicates that Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester?
The CAS number of Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester is 51308-79-3.
What is the molecular formula of Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester?
The molecular formula of Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester is C17H19BrN2OS.
What is the molecular weight of Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester?
The molecular weight of Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester is 378.04 g/mol.
Where can I buy Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester?
You can request a quote for Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.