Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
TL;DR: Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate (CAS 313266-02-3) is a chemical compound with molecular formula C13H25NO5 and molecular weight 275.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
Also Known As: butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate, 1,4,7-Trioxa-10-aza-cyclododecane-10-carboxylic acid butyl ester
| Molecular Formula | C13H25NO5 |
|---|---|
| Molecular Weight | 275.17 g/mol |
| LogP | 1.2885 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.17328 |
| Heavy Atoms | 19 |
| Complexity | 225.07347 |
Chemical Identifiers
| CAS Number | 313266-02-3 |
|---|---|
| SMILES | CCCCOC(=O)N1CCOCCOCCOCC1 |
Product Overview
Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate (CAS 313266-02-3), with molecular formula C13H25NO5 and molecular weight 275.17 g/mol. IUPAC: butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate.
Chemical Property Profile of Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
Property Insights of Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate
The XLogP value of 1.2885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate. With a topological polar surface area (TPSA) of 57.23 Ų, Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
The CAS number of Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate is 313266-02-3.
What is the molecular formula of Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
The molecular formula of Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate is C13H25NO5.
What is the molecular weight of Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
The molecular weight of Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate is 275.17 g/mol.
Where can I buy Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
You can request a quote for Butyl 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 Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 1,4,7-trioxa-10-azacyclododecane-10-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.