Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride
TL;DR: Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride (CAS 71783-92-1) is a chemical compound with molecular formula C22H25Cl3N2O6 and molecular weight 518.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(4-chlorophenoxy)acetyl]-1,4,5-oxadiazepan-4-yl]ethyl 2-(4-chlorophenoxy)acetate;hydrochloride
Also Known As: Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride, Aceticacid, -,2-(5-( tetrahydro-1,4,5-oxadiazepin-4 ethylester,monohydrochloride, 2-[5-[2-(4-chlorophenoxy)acetyl]-1,4,5-oxadiazepan-4-yl]ethyl 2-(4-chlorophenoxy)acetate hydrochloride, 2-[5-[2-(4-chlorophenoxy)acetyl]-1,4,5-oxadiazepan-4-yl]ethyl 2-(4-chlorophenoxy)acetate,hydrochloride, 2-{5-[(4-Chlorophenoxy)acetyl]-1,4,5-oxadiazepan-4-yl}ethyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)
| Molecular Formula | C22H25Cl3N2O6 |
|---|---|
| Molecular Weight | 518.08 g/mol |
| LogP | 3.492 |
| Topological Polar Surface Area | 77.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 518.0778 |
| Heavy Atoms | 33 |
| Complexity | 882.70483 |
Chemical Identifiers
| CAS Number | 71783-92-1 |
|---|---|
| SMILES | C1COCCN(N1CCOC(=O)COC2=CC=C(C=C2)Cl)C(=O)COC3=CC=C(C=C3)Cl.Cl |
Product Overview
Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride (CAS 71783-92-1), with molecular formula C22H25Cl3N2O6 and molecular weight 518.08 g/mol. IUPAC: 2-[5-[2-(4-chlorophenoxy)acetyl]-1,4,5-oxadiazepan-4-yl]ethyl 2-(4-chlorophenoxy)acetate;hydrochloride.
Chemical Property Profile of Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride
Property Insights of Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride
The XLogP value of 3.492 indicates that Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride?
The CAS number of Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride is 71783-92-1.
What is the molecular formula of Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride?
The molecular formula of Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride is C22H25Cl3N2O6.
What is the molecular weight of Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride?
The molecular weight of Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride is 518.08 g/mol.
Where can I buy Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride?
You can request a quote for Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (4-chlorophenoxy)-, 2-(5-((4-chlorophenoxy)acetyl)tetrahydro-1,4,5-oxadiazepin-4(5H)-yl)ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.