![2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide structure](/static/products/5320/5320-12-7.webp)
2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
TL;DR: 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide (CAS 5320-12-7) is a chemical compound with molecular formula C29H33N3O2S and molecular weight 487.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
Also Known As: 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide, 2-(1-adamantyl)-N-[[3-(5-propan-2-ylbenzooxazol-2-yl)phenyl]thiocarbamoyl]acetamide, 2-(Adamantan-1-yl)-N-({3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}carbamothioyl)acetamide
| Molecular Formula | C29H33N3O2S |
|---|---|
| Molecular Weight | 487.23 g/mol |
| LogP | 7.0377 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.22934 |
| Heavy Atoms | 35 |
| Complexity | 1258.7896 |
Chemical Identifiers
| CAS Number | 5320-12-7 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5 |
Product Overview
2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide (CAS 5320-12-7), with molecular formula C29H33N3O2S and molecular weight 487.23 g/mol. IUPAC: 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide.
Chemical Property Profile of 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
Property Insights of 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
The XLogP value of 7.0377 indicates that 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide. Following Lipinski's Rule of Five, 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide has 2 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 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide?
The CAS number of 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide is 5320-12-7.
What is the molecular formula of 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide?
The molecular formula of 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide is C29H33N3O2S.
What is the molecular weight of 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide?
The molecular weight of 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide is 487.23 g/mol.
Where can I buy 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide?
You can request a quote for 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-adamantyl)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.