5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride
TL;DR: 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride (CAS 472981-09-2) is a chemical compound with molecular formula C12H17ClN2O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyl-2-ethoxyphenyl)methyl carbamimidothioate;hydrochloride
Also Known As: 5-acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride, (5-acetyl-2-ethoxyphenyl)methyl carbamimidothioate hydrochloride, (5-acetyl-2-ethoxy-phenyl)methylsulfanylmethanimidamide Hydrochloride
| Molecular Formula | C12H17ClN2O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.83637 |
| Topological Polar Surface Area | 76.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.06992 |
| Heavy Atoms | 18 |
| Complexity | 438.08563 |
Chemical Identifiers
| CAS Number | 472981-09-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)C)CSC(=N)N.Cl |
Product Overview
5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride (CAS 472981-09-2), with molecular formula C12H17ClN2O2S and molecular weight 288.07 g/mol. IUPAC: (5-acetyl-2-ethoxyphenyl)methyl carbamimidothioate;hydrochloride.
Chemical Property Profile of 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride
Property Insights of 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride
The XLogP value of 2.83637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride. The TPSA of 76.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride. Following Lipinski's Rule of Five, 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride has 2 hydrogen bond donor(s) and 4 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 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride?
The CAS number of 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride is 472981-09-2.
What is the molecular formula of 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride?
The molecular formula of 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride is C12H17ClN2O2S.
What is the molecular weight of 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride?
The molecular weight of 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride is 288.07 g/mol.
Where can I buy 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride?
You can request a quote for 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-ethoxybenzyl carbamimidothioate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.