N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide
TL;DR: N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide (CAS 524049-46-5) is a chemical compound with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-adamantyloxy)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
Also Known As: TimTec1_003709, BRD-K54208429-001-01-0, N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide, A2868/0120883, N-[2-(1-adamantyloxy)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
| Molecular Formula | C21H26N2O3S |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 4.0215 |
| Topological Polar Surface Area | 64.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.1664 |
| Heavy Atoms | 27 |
| Complexity | 765.41174 |
Chemical Identifiers
| CAS Number | 524049-46-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)OCCNC(=O)CSC4=NC5=CC=CC=C5O4 |
Product Overview
N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide (CAS 524049-46-5), with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol. IUPAC: N-[2-(1-adamantyloxy)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.
Chemical Property Profile of N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide
Property Insights of N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide
The XLogP value of 4.0215 indicates that N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide. Following Lipinski's Rule of Five, N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide has 1 hydrogen bond donor(s) and 5 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-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide?
The CAS number of N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide is 524049-46-5.
What is the molecular formula of N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide?
The molecular formula of N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide is C21H26N2O3S.
What is the molecular weight of N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide?
The molecular weight of N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide is 386.17 g/mol.
Where can I buy N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide?
You can request a quote for N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-adamantanyloxyethyl)-2-benzoxazol-2-ylthioacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.