2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate
TL;DR: 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate (CAS 39497-06-8) is a chemical compound with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,4-oxazepan-4-yl)ethyl 2-(4-chlorophenoxy)acetate
Also Known As: p-Chlorophenoxyacetic acid beta-homomorpholinoethyl ester, 2-(1,4-oxazepan-4-yl)ethyl(4-chlorophenoxy)acetate, 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate, 2-(1,4-oxazepan-4-yl)ethyl 2-(4-chlorophenoxy)acetate, 2-(p-Chlorophenoxy)acetic acid 2-(hexahydro-1,4-oxazepin-4-yl)ethyl ester
| Molecular Formula | C15H20ClNO4 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.1081 |
| Heavy Atoms | 21 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 39497-06-8 |
|---|---|
| SMILES | C1CN(CCOC1)CCOC(=O)COC2=CC=C(C=C2)Cl |
| InChIKey | OOTGVNOBTIPORR-UHFFFAOYSA-N |
Product Overview
2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate (CAS 39497-06-8), with molecular formula C15H20ClNO4 and molecular weight 313.11 g/mol. IUPAC: 2-(1,4-oxazepan-4-yl)ethyl 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate
Property Insights of 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate. With a topological polar surface area (TPSA) of 48.0 Ų, 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate has 0 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 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate?
The CAS number of 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate is 39497-06-8.
What is the molecular formula of 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate?
The molecular formula of 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate is C15H20ClNO4.
What is the molecular weight of 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate?
The molecular weight of 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate is 313.11 g/mol.
Where can I buy 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate?
You can request a quote for 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,4-Oxazepan-4-yl)ethyl (4-chlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.