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Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate
TL;DR: Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate (CAS 696645-72-4) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
Also Known As: ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate, Ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate, ethyl 3-amino-3-(4-isopropoxyphenyl)propanoate, ethyl 3-amino-3-(4-isopropoxyphenyl)propanoate hydrochloride
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 2.4268 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 373.13043 |
Chemical Identifiers
| CAS Number | 696645-72-4 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC=C(C=C1)OC(C)C)N |
Product Overview
Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate (CAS 696645-72-4), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate.
Chemical Property Profile of Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate
Property Insights of Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate
The XLogP value of 2.4268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate. Following Lipinski's Rule of Five, Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate has 1 hydrogen bond donor(s) and 4 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 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate?
The CAS number of Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate is 696645-72-4.
What is the molecular formula of Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate?
The molecular formula of Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate is C14H21NO3.
What is the molecular weight of Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate?
The molecular weight of Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate is 251.15 g/mol.
Where can I buy Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate?
You can request a quote for Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-3-[4-(propan-2-yloxy)phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.