Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate
TL;DR: Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate (CAS 64058-95-3) is a chemical compound with molecular formula C12H23ClN2OS and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1-adamantyl)-2-sulfanylethanimidamide;hydrate;hydrochloride
Also Known As: Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate, N-(1-Adamantyl)-2-mercaptoacetamidine hydrochloride hydrate, N'-(1-adamantyl)-2-sulfanylethanimidamide hydrate hydrochloride, Acetamidine, N-(1-adamantyl)-2-mercapto-, HCl, hydrate, (1E)-N'-(Adamantan-1-yl)(sulfanyl)ethanimidamide--hydrogen chloride--water (1/1/1)
| Molecular Formula | C12H23ClN2OS |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 1.84 |
| Topological Polar Surface Area | 40.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.12195 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 64058-95-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N=C(CS)N.O.Cl |
| InChIKey | GNBXJURZZRJOAT-UHFFFAOYSA-N |
Product Overview
Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate (CAS 64058-95-3), with molecular formula C12H23ClN2OS and molecular weight 278.12 g/mol. IUPAC: N'-(1-adamantyl)-2-sulfanylethanimidamide;hydrate;hydrochloride.
Chemical Property Profile of Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate
Property Insights of Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate
The XLogP value of 1.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate. With a topological polar surface area (TPSA) of 40.4 Ų, Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate has 4 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 Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate?
The CAS number of Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate is 64058-95-3.
What is the molecular formula of Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate?
The molecular formula of Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate is C12H23ClN2OS.
What is the molecular weight of Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate?
The molecular weight of Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate is 278.12 g/mol.
Where can I buy Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate?
You can request a quote for Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Acetamidine, N-(1-adamantyl)-2-mercapto-, hydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.