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[(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate (CAS 1004410-86-9) is a chemical compound with molecular formula C20H20N2O5 and molecular weight 368.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate|MLS001138467|CHEMBL1529482|SMR000715895|EN300-26686027|Z16028058
Technical Specifications
| Molecular Formula | C20H20N2O5 |
| Molecular Weight | 368.1372 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.1372 Da |
| Heavy Atoms | 27 |
| Complexity | 607.0 |
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O |
| InChIKey | YAOXUIRMNLBAGB-UHFFFAOYSA-N |
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate
The XLogP value of 3.6 indicates that [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate is 1004410-86-9.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate is C20H20N2O5.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate is 368.1372 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 1,4-dihydroxynaphthalene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.