WR 109342
TL;DR: WR 109342 (CAS 60833-81-0) 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'-(1-adamantylmethyl)-2-sulfanylethanimidamide
Also Known As: N'-(1-adamantylmethyl)-2-sulfanylethanimidamide, N1-(Adamantyl-(1)-methyl)--mercapto-acetamidin, N-(ADAMANTAN-1-YLMETHYL)-2-MERCAPTOETHANIMIDAMIDE, 2-Mercapto-N-(tricyclo(3.3.1.1(3,7))dec-1-ylmethyl)ethanimidamide, (1E)-N'-[(Adamantan-1-yl)methyl](sulfanyl)ethanimidamide
| Molecular Formula | C13H22N2S |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 2.5 |
| 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 | 270.0 |
Chemical Identifiers
| CAS Number | 60833-81-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CN=C(CS)N |
| InChIKey | IMSBTGCLUSHNQN-UHFFFAOYSA-N |
Product Overview
WR 109342 (CAS 60833-81-0), with molecular formula C13H22N2S and molecular weight 238.15 g/mol. IUPAC: N'-(1-adamantylmethyl)-2-sulfanylethanimidamide.
Chemical Property Profile of WR 109342
Property Insights of WR 109342
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for WR 109342. With a topological polar surface area (TPSA) of 39.4 Ų, WR 109342 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, WR 109342 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 WR 109342?
The CAS number of WR 109342 is 60833-81-0.
What is the molecular formula of WR 109342?
The molecular formula of WR 109342 is C13H22N2S.
What is the molecular weight of WR 109342?
The molecular weight of WR 109342 is 238.15 g/mol.
Where can I buy WR 109342?
You can request a quote for WR 109342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WR 109342?
Yes, KEHONG BIO provides custom synthesis services for WR 109342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.