![N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide structure](/static/products/5932/593238-63-2.webp)
N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
TL;DR: N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide (CAS 593238-63-2) is a chemical compound with molecular formula C27H28ClN3O2S and molecular weight 493.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
Also Known As: N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide, 2-(1-adamantyl)-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide, 2-(1-adamantyl)-N-[[4-chloro-3-(6-methylbenzooxazol-2-yl)phenyl]thiocarbamoyl]acetamide, 2-(Adamantan-1-yl)-N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}acetamide, TRICYCLO[3.3.1.13,7]DECANE-1-ACETAMIDE, N-[[[4-CHLORO-3-(6-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-
| Molecular Formula | C27H28ClN3O2S |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | 6.87612 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.1591 |
| Heavy Atoms | 34 |
| Complexity | 1264.983 |
Chemical Identifiers
| CAS Number | 593238-63-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl |
Product Overview
N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide (CAS 593238-63-2), with molecular formula C27H28ClN3O2S and molecular weight 493.16 g/mol. IUPAC: 2-(1-adamantyl)-N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide.
Chemical Property Profile of N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Property Insights of N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
The XLogP value of 6.87612 indicates that N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)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 N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide. Following Lipinski's Rule of Five, N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)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 N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
The CAS number of N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide is 593238-63-2.
What is the molecular formula of N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
The molecular formula of N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide is C27H28ClN3O2S.
What is the molecular weight of N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
The molecular weight of N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide is 493.16 g/mol.
Where can I buy N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
You can request a quote for N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.