Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride
TL;DR: Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride (CAS 40284-12-6) is a chemical compound with molecular formula C12H19ClN2O2S and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-2-sulfanylethylidene)-[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride
Also Known As: N-(3,4-Dimethoxyphenethyl)-2-mercaptoacetamidine hydrochloride, ACETAMIDINE, N-(3,4-DIMETHOXYPHENETHYL)-2-MERCAPTO-, HYDROCHLORIDE, (1-Amino-2-sulfanylethylidene)-[2-(3,4-dimethoxyphenyl)ethyl]azaniumchloride, (1-amino-2-sulfanylethylidene)-[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride, Ethanimidamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-mercapto-, monohydrochloride
| Molecular Formula | C12H19ClN2O2S |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | -3.38 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.08557 |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 40284-12-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC[NH+]=C(CS)N)OC.[Cl-] |
| InChIKey | XUZKWGHQFMAXTE-UHFFFAOYSA-N |
Product Overview
Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride (CAS 40284-12-6), with molecular formula C12H19ClN2O2S and molecular weight 290.09 g/mol. IUPAC: (1-amino-2-sulfanylethylidene)-[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride.
Chemical Property Profile of Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride
Property Insights of Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride
The XLogP value of -3.38 indicates that Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.5 Ų, Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride has 3 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 Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride?
The CAS number of Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride is 40284-12-6.
What is the molecular formula of Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride?
The molecular formula of Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride is C12H19ClN2O2S.
What is the molecular weight of Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride?
The molecular weight of Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride is 290.09 g/mol.
Where can I buy Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride?
You can request a quote for Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.