![2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide structure](/static/products/5932/593238-71-2.webp)
2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide
TL;DR: 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide (CAS 593238-71-2) is a chemical compound with molecular formula C27H29N3O3S and molecular weight 475.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-[[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
Also Known As: 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide, N-{[4-(5-Methyl-1,3-benzoxazol-2(3H)-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]decan-1-yl)acetamide, 2-(1-adamantyl)-N-[[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide, 2-(Adamantan-1-yl)-N-{[4-(5-methyl-1,3-benzoxazol-2(3H)-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl}acetamide, N-{[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
| Molecular Formula | C27H29N3O3S |
|---|---|
| Molecular Weight | 475.19 g/mol |
| LogP | 5.92832 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 475.19296 |
| Heavy Atoms | 34 |
| Complexity | 1262.2281 |
Chemical Identifiers
| CAS Number | 593238-71-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=N2)C3=C(C=C(C=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)O |
Product Overview
2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide (CAS 593238-71-2), with molecular formula C27H29N3O3S and molecular weight 475.19 g/mol. IUPAC: 2-(1-adamantyl)-N-[[3-hydroxy-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide.
Chemical Property Profile of 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide
Property Insights of 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide
The XLogP value of 5.92832 indicates that 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide. Following Lipinski's Rule of Five, 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide has 3 hydrogen bond donor(s) and 5 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-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide?
The CAS number of 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide is 593238-71-2.
What is the molecular formula of 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide?
The molecular formula of 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide is C27H29N3O3S.
What is the molecular weight of 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide?
The molecular weight of 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide is 475.19 g/mol.
Where can I buy 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide?
You can request a quote for 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]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-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-adamantyl)-N-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.