pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate
TL;DR: pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate (CAS 720674-82-8) is a chemical compound with molecular formula C19H17N3S and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate
Also Known As: 2-pyridinylmethyl N,N'-diphenylimidothiocarbamate, pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate, AE-641/01083051, Pyridin-2-ylmethyl N,N/'-diphenylcarbamimidothioate
| Molecular Formula | C19H17N3S |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 5.1146 |
| Topological Polar Surface Area | 37.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.11432 |
| Heavy Atoms | 23 |
| Complexity | 743.34296 |
Chemical Identifiers
| CAS Number | 720674-82-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)SCC3=CC=CC=N3 |
Product Overview
pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate (CAS 720674-82-8), with molecular formula C19H17N3S and molecular weight 319.11 g/mol. IUPAC: pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate.
Chemical Property Profile of pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate
Property Insights of pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate
The XLogP value of 5.1146 indicates that pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.28 Ų, pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate 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 pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate?
The CAS number of pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate is 720674-82-8.
What is the molecular formula of pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate?
The molecular formula of pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate is C19H17N3S.
What is the molecular weight of pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate?
The molecular weight of pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate is 319.11 g/mol.
Where can I buy pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate?
You can request a quote for pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for pyridin-2-ylmethyl N,N'-diphenylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.