![[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate structure](/static/products/851/851415-74-2.png)
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate
TL;DR: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate (CAS 851415-74-2) is a chemical compound with molecular formula C26H33N5O5S and molecular weight 527.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate
Also Known As: [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate|[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate|EN300-26681504
| Molecular Formula | C26H33N5O5S |
|---|---|
| Molecular Weight | 527.22 g/mol |
| LogP | 3.19668 |
| Topological Polar Surface Area | 132.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.2202 |
| Heavy Atoms | 37 |
| Complexity | 1104.8197 |
Chemical Identifiers
| CAS Number | 851415-74-2 |
|---|---|
| SMILES | CCN(CC)C1=NC(=O)C(S1)CC(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)N(C)C3(CCCCC3)C#N |
Product Overview
[(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate (CAS 851415-74-2), with molecular formula C26H33N5O5S and molecular weight 527.22 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-[[2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetyl]amino]benzoate.
Chemical Property Profile of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate
Property Insights of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate
The XLogP value of 3.19668 indicates that [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.17 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate?
The CAS number of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate is 851415-74-2.
What is the molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate?
The molecular formula of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate is C26H33N5O5S.
What is the molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate?
The molecular weight of [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate is 527.22 g/mol.
Where can I buy [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate?
You can request a quote for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 3-{2-[2-(diethylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamido}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.