5-Acetyl-2-methoxybenzyl carbamimidothioate
TL;DR: 5-Acetyl-2-methoxybenzyl carbamimidothioate (CAS 487012-74-8) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyl-2-methoxyphenyl)methyl carbamimidothioate
Also Known As: 5-acetyl-2-methoxybenzyl carbamimidothioate, BAS 02788892, 2-(5-Acetyl-2-methoxy-benzyl)-isothiourea, 5-acetyl-2-methoxybenzyl imidothiocarbamate, (5-acetyl-2-methoxyphenyl)methyl carbamimidothioate
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.02447 |
| Topological Polar Surface Area | 76.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 418.44562 |
Chemical Identifiers
| CAS Number | 487012-74-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)CSC(=N)N |
Product Overview
5-Acetyl-2-methoxybenzyl carbamimidothioate (CAS 487012-74-8), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: (5-acetyl-2-methoxyphenyl)methyl carbamimidothioate.
Chemical Property Profile of 5-Acetyl-2-methoxybenzyl carbamimidothioate
Property Insights of 5-Acetyl-2-methoxybenzyl carbamimidothioate
The XLogP value of 2.02447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-methoxybenzyl carbamimidothioate. The TPSA of 76.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-methoxybenzyl carbamimidothioate. Following Lipinski's Rule of Five, 5-Acetyl-2-methoxybenzyl carbamimidothioate 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-methoxybenzyl carbamimidothioate?
The CAS number of 5-Acetyl-2-methoxybenzyl carbamimidothioate is 487012-74-8.
What is the molecular formula of 5-Acetyl-2-methoxybenzyl carbamimidothioate?
The molecular formula of 5-Acetyl-2-methoxybenzyl carbamimidothioate is C11H14N2O2S.
What is the molecular weight of 5-Acetyl-2-methoxybenzyl carbamimidothioate?
The molecular weight of 5-Acetyl-2-methoxybenzyl carbamimidothioate is 238.08 g/mol.
Where can I buy 5-Acetyl-2-methoxybenzyl carbamimidothioate?
You can request a quote for 5-Acetyl-2-methoxybenzyl carbamimidothioate 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-methoxybenzyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-methoxybenzyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.