Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate
TL;DR: Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate (CAS 497865-90-4) is a chemical compound with molecular formula C21H31NO7 and molecular weight 409.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butanoate
Also Known As: benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate, benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butanoate
| Molecular Formula | C21H31NO7 |
|---|---|
| Molecular Weight | 409.21 g/mol |
| LogP | 1.4186 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.21005 |
| Heavy Atoms | 29 |
| Complexity | 565.65216 |
Chemical Identifiers
| CAS Number | 497865-90-4 |
|---|---|
| SMILES | C1COCCOCCOCCOCCN1C(=O)CCC(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate (CAS 497865-90-4), with molecular formula C21H31NO7 and molecular weight 409.21 g/mol. IUPAC: benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butanoate.
Chemical Property Profile of Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate
Property Insights of Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate
The XLogP value of 1.4186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate. The TPSA of 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate. Following Lipinski's Rule of Five, Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate has 0 hydrogen bond donor(s) and 7 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 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate?
The CAS number of Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate is 497865-90-4.
What is the molecular formula of Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate?
The molecular formula of Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate is C21H31NO7.
What is the molecular weight of Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate?
The molecular weight of Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate is 409.21 g/mol.
Where can I buy Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate?
You can request a quote for Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.