Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
TL;DR: Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate (CAS 312943-15-0) is a chemical compound with molecular formula C21H31NO6 and molecular weight 393.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododec-10-yl)hexanoate
Also Known As: benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate, benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododec-10-yl)hexanoate, BENZYL 6-OXO-6-(1,4,7-TRIOXA-10-AZACYCLODODECANYL)HEXANOATE, 6-Oxo-6-(1,4,7-trioxa-10-aza-cyclododec-10-yl)-hexanoic acid benzyl ester
| Molecular Formula | C21H31NO6 |
|---|---|
| Molecular Weight | 393.22 g/mol |
| LogP | 2.1822 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.21515 |
| Heavy Atoms | 28 |
| Complexity | 553.27405 |
Chemical Identifiers
| CAS Number | 312943-15-0 |
|---|---|
| SMILES | C1COCCOCCOCCN1C(=O)CCCCC(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate (CAS 312943-15-0), with molecular formula C21H31NO6 and molecular weight 393.22 g/mol. IUPAC: benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododec-10-yl)hexanoate.
Chemical Property Profile of Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
Property Insights of Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
The XLogP value of 2.1822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate. Following Lipinski's Rule of Five, Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate has 0 hydrogen bond donor(s) and 6 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 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate?
The CAS number of Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate is 312943-15-0.
What is the molecular formula of Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate?
The molecular formula of Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate is C21H31NO6.
What is the molecular weight of Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate?
The molecular weight of Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate is 393.22 g/mol.
Where can I buy Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate?
You can request a quote for Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.