Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
TL;DR: Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate (CAS 312904-12-4) is a chemical compound with molecular formula C14H25NO4 and molecular weight 271.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
Also Known As: Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxy-cyclohexene-1-carboxylate, (3R,4S,5R)-ethyl 5-amino-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate, ethyl (3R,4S,5R)-5-amino-4-hydroxy-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
| Molecular Formula | C14H25NO4 |
|---|---|
| Molecular Weight | 271.18 g/mol |
| LogP | 1.1416 |
| Topological Polar Surface Area | 81.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.17834 |
| Heavy Atoms | 19 |
| Complexity | 325.40765 |
Chemical Identifiers
| CAS Number | 312904-12-4 |
|---|---|
| SMILES | CCC(CC)OC1C=C(CC(C1O)N)C(=O)OCC |
Product Overview
Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate (CAS 312904-12-4), with molecular formula C14H25NO4 and molecular weight 271.18 g/mol. IUPAC: ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate.
Chemical Property Profile of Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
Property Insights of Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
The XLogP value of 1.1416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate. The TPSA of 81.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
The CAS number of Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate is 312904-12-4.
What is the molecular formula of Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
The molecular formula of Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate is C14H25NO4.
What is the molecular weight of Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
The molecular weight of Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate is 271.18 g/mol.
Where can I buy Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
You can request a quote for Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.