1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone
TL;DR: 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone (CAS 226878-33-7) is a chemical compound with molecular formula C19H21NOS2 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone
Also Known As: 1-adamantanyl-2-benzothiazol-2-ylthioethan-1-one, 1-(1-adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone, AB01326081-02, A3134/0132489, Ethanone, 1-(adamantan-1-yl)-2-(benzothiazol-2-ylsulfanyl)-
| Molecular Formula | C19H21NOS2 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 5.1739 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.10645 |
| Heavy Atoms | 23 |
| Complexity | 697.2861 |
Chemical Identifiers
| CAS Number | 226878-33-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=CC=CC=C5S4 |
Product Overview
1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone (CAS 226878-33-7), with molecular formula C19H21NOS2 and molecular weight 343.11 g/mol. IUPAC: 1-(1-adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone.
Chemical Property Profile of 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone
Property Insights of 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone
The XLogP value of 5.1739 indicates that 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone?
The CAS number of 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone is 226878-33-7.
What is the molecular formula of 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone?
The molecular formula of 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone is C19H21NOS2.
What is the molecular weight of 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone?
The molecular weight of 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone is 343.11 g/mol.
Where can I buy 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone?
You can request a quote for 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.