N-(2-Adamantylmethyl)-2-mercaptoethanimidamide
TL;DR: N-(2-Adamantylmethyl)-2-mercaptoethanimidamide (CAS 69094-47-9) is a chemical compound with molecular formula C13H22N2S and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-adamantylmethyl)-2-sulfanylethanimidamide
Also Known As: N-(2-Adamantylmethyl)-2-mercaptoethanimidamide, N-(2-adamantylmethyl)-2-sulfanyl-acetamidine, N'-(2-adamantylmethyl)-2-sulfanylethanimidamide, (1E)-N'-[(Adamantan-2-yl)methyl](sulfanyl)ethanimidamide
| Molecular Formula | C13H22N2S |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.15038 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 69094-47-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)C3CN=C(CS)N |
| InChIKey | AMMVENNVNPXCAE-UHFFFAOYSA-N |
Product Overview
N-(2-Adamantylmethyl)-2-mercaptoethanimidamide (CAS 69094-47-9), with molecular formula C13H22N2S and molecular weight 238.15 g/mol. IUPAC: N'-(2-adamantylmethyl)-2-sulfanylethanimidamide.
Chemical Property Profile of N-(2-Adamantylmethyl)-2-mercaptoethanimidamide
Property Insights of N-(2-Adamantylmethyl)-2-mercaptoethanimidamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Adamantylmethyl)-2-mercaptoethanimidamide. With a topological polar surface area (TPSA) of 39.4 Ų, N-(2-Adamantylmethyl)-2-mercaptoethanimidamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Adamantylmethyl)-2-mercaptoethanimidamide has 2 hydrogen bond donor(s) and 2 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 N-(2-Adamantylmethyl)-2-mercaptoethanimidamide?
The CAS number of N-(2-Adamantylmethyl)-2-mercaptoethanimidamide is 69094-47-9.
What is the molecular formula of N-(2-Adamantylmethyl)-2-mercaptoethanimidamide?
The molecular formula of N-(2-Adamantylmethyl)-2-mercaptoethanimidamide is C13H22N2S.
What is the molecular weight of N-(2-Adamantylmethyl)-2-mercaptoethanimidamide?
The molecular weight of N-(2-Adamantylmethyl)-2-mercaptoethanimidamide is 238.15 g/mol.
Where can I buy N-(2-Adamantylmethyl)-2-mercaptoethanimidamide?
You can request a quote for N-(2-Adamantylmethyl)-2-mercaptoethanimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Adamantylmethyl)-2-mercaptoethanimidamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Adamantylmethyl)-2-mercaptoethanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.