13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
TL;DR: 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane (CAS 71089-11-7) is a chemical compound with molecular formula C17H27NO4 and molecular weight 309.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-benzyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
Also Known As: Benzylaza-15-crown-5, Benzyl-aza-15-crown-5, N-benzylaza-15-crown-5, 13-benzyl-1,4,7,10-tetraoxa-13-azacyclopentadecane, 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
| Molecular Formula | C17H27NO4 |
|---|---|
| Molecular Weight | 309.19 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.194 |
| Heavy Atoms | 22 |
| Complexity | 243.0 |
| Solubility | 43.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 71089-11-7 |
|---|---|
| SMILES | C1COCCOCCOCCOCCN1CC2=CC=CC=C2 |
| InChIKey | NYMNSQXENSRWHC-UHFFFAOYSA-N |
Product Overview
13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane (CAS 71089-11-7), with molecular formula C17H27NO4 and molecular weight 309.19 g/mol. IUPAC: 13-benzyl-1,4,7,10-tetraoxa-13-azacyclopentadecane.
Chemical Property Profile of 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
Property Insights of 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane. With a topological polar surface area (TPSA) of 40.2 Ų, 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane 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 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The CAS number of 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane is 71089-11-7.
What is the molecular formula of 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The molecular formula of 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane is C17H27NO4.
What is the molecular weight of 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The molecular weight of 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane is 309.19 g/mol.
Where can I buy 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
You can request a quote for 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
Yes, KEHONG BIO provides custom synthesis services for 13-(Phenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.