Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride
TL;DR: Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride (CAS 40284-13-7) is a chemical compound with molecular formula C9H21Cl2N3OS and molecular weight 289.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-2-sulfanylethylidene)-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride
Also Known As: Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride, 2-Mercapto-N-(3-morpholinopropyl)acetamidine dihydrochloride, Ethanimidamide, 2-mercapto-N-[3-(4-morpholinyl)propyl]-, dihydrochloride, (1-amino-2-sulfanylethylidene)-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride, RefChem:315636
| Molecular Formula | C9H21Cl2N3OS |
|---|---|
| Molecular Weight | 289.08 g/mol |
| LogP | -9.33 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.07825 |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 40284-13-7 |
|---|---|
| SMILES | C1COCC[NH+]1CCC[NH+]=C(CS)N.[Cl-].[Cl-] |
| InChIKey | FXIHTBJWEKIXHE-UHFFFAOYSA-N |
Product Overview
Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride (CAS 40284-13-7), with molecular formula C9H21Cl2N3OS and molecular weight 289.08 g/mol. IUPAC: (1-amino-2-sulfanylethylidene)-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride.
Chemical Property Profile of Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride
Property Insights of Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride
The XLogP value of -9.33 indicates that Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.7 Ų, Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride has 4 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, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride?
The CAS number of Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride is 40284-13-7.
What is the molecular formula of Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride?
The molecular formula of Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride is C9H21Cl2N3OS.
What is the molecular weight of Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride?
The molecular weight of Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride is 289.08 g/mol.
Where can I buy Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride?
You can request a quote for Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetamidine, 2-mercapto-N-(3-morpholinopropyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.