Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
TL;DR: Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate (CAS 85325-80-0) is a chemical compound with molecular formula C16H23NO5 and molecular weight 309.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
Also Known As: BAS 00104461, benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate, 1,4,7-Trioxa-10-aza-cyclododecane-10-carboxylic acid benzyl ester
| Molecular Formula | C16H23NO5 |
|---|---|
| Molecular Weight | 309.16 g/mol |
| LogP | 1.6886 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.15762 |
| Heavy Atoms | 22 |
| Complexity | 413.80417 |
Chemical Identifiers
| CAS Number | 85325-80-0 |
|---|---|
| SMILES | C1COCCOCCOCCN1C(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate (CAS 85325-80-0), with molecular formula C16H23NO5 and molecular weight 309.16 g/mol. IUPAC: benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate.
Chemical Property Profile of Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
Property Insights of Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
The XLogP value of 1.6886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate. With a topological polar surface area (TPSA) of 57.23 Ų, Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate 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 Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
The CAS number of Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate is 85325-80-0.
What is the molecular formula of Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
The molecular formula of Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate is C16H23NO5.
What is the molecular weight of Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
The molecular weight of Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate is 309.16 g/mol.
Where can I buy Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
You can request a quote for Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.