Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate
TL;DR: Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate (CAS 116989-37-8) is a chemical compound with molecular formula C21H32N2O7 and molecular weight 424.22095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propyl]carbamate
Also Known As: benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate, benzyl [3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl]carbamate, benzyl N-[3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propyl]carbamate, [3-Oxo-3-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-propyl]-carbamic acid benzyl ester
Technical Specifications
| Molecular Formula | C21H32N2O7 |
| Molecular Weight | 424.22095 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.22095 Da |
| Heavy Atoms | 30 |
| Complexity | 456.0 |
| SMILES | C1COCCOCCOCCOCCN1C(=O)CCNC(=O)OCC2=CC=CC=C2 |
| InChIKey | VOMMGKNKKZXQFB-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate
Property Insights of Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate. Following Lipinski's Rule of Five, Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate?
The CAS number of Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate is 116989-37-8.
What is the molecular formula of Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate?
The molecular formula of Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate is C21H32N2O7.
What is the molecular weight of Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate?
The molecular weight of Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate is 424.22095 g/mol.
Where can I buy Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate?
You can request a quote for Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate?
Yes, CoreyChem provides custom synthesis services for Benzyl (3-oxo-3-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)propyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.