benzyl N'-(4-methoxyphenyl)carbamimidothioate
TL;DR: benzyl N'-(4-methoxyphenyl)carbamimidothioate (CAS 39536-25-9) is a chemical compound with molecular formula C15H16N2OS and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N'-(4-methoxyphenyl)carbamimidothioate
Also Known As: benzyl N'-(4-methoxyphenyl)carbamimidothioate, Carbamimidothioic acid,(4-methoxyphenyl)-,phenylmethyl ester, Carbamimidothioic acid, (4-methoxyphenyl)-, phenylmethyl ester
| Molecular Formula | C15H16N2OS |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.5748 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.09833 |
| Heavy Atoms | 19 |
| Complexity | 537.83185 |
Chemical Identifiers
| CAS Number | 39536-25-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=C(N)SCC2=CC=CC=C2 |
Product Overview
benzyl N'-(4-methoxyphenyl)carbamimidothioate (CAS 39536-25-9), with molecular formula C15H16N2OS and molecular weight 272.10 g/mol. IUPAC: benzyl N'-(4-methoxyphenyl)carbamimidothioate.
Chemical Property Profile of benzyl N'-(4-methoxyphenyl)carbamimidothioate
Property Insights of benzyl N'-(4-methoxyphenyl)carbamimidothioate
The XLogP value of 3.5748 indicates that benzyl N'-(4-methoxyphenyl)carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.61 Ų, benzyl N'-(4-methoxyphenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl N'-(4-methoxyphenyl)carbamimidothioate has 1 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 benzyl N'-(4-methoxyphenyl)carbamimidothioate?
The CAS number of benzyl N'-(4-methoxyphenyl)carbamimidothioate is 39536-25-9.
What is the molecular formula of benzyl N'-(4-methoxyphenyl)carbamimidothioate?
The molecular formula of benzyl N'-(4-methoxyphenyl)carbamimidothioate is C15H16N2OS.
What is the molecular weight of benzyl N'-(4-methoxyphenyl)carbamimidothioate?
The molecular weight of benzyl N'-(4-methoxyphenyl)carbamimidothioate is 272.10 g/mol.
Where can I buy benzyl N'-(4-methoxyphenyl)carbamimidothioate?
You can request a quote for benzyl N'-(4-methoxyphenyl)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl N'-(4-methoxyphenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N'-(4-methoxyphenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.