N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide (CAS 755006-71-4) is a chemical compound with molecular formula C19H28N2O4 and molecular weight 348.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1,3-benzodioxol-5-ylmethyl)-N-heptylbutanediamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide, N'-(1,3-benzodioxol-5-ylmethyl)-N-heptylbutanediamide, N'-(benzo[1,3]dioxol-5-ylmethyl)-N-heptyl-butanediamide
| Molecular Formula | C19H28N2O4 |
|---|---|
| Molecular Weight | 348.20 g/mol |
| LogP | 2.8983 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 348.2049 |
| Heavy Atoms | 25 |
| Complexity | 574.54254 |
Chemical Identifiers
| CAS Number | 755006-71-4 |
|---|---|
| SMILES | CCCCCCCNC(=O)CCC(=O)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide (CAS 755006-71-4), with molecular formula C19H28N2O4 and molecular weight 348.20 g/mol. IUPAC: N'-(1,3-benzodioxol-5-ylmethyl)-N-heptylbutanediamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide
The XLogP value of 2.8983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide has 2 hydrogen bond donor(s) and 4 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 N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide is 755006-71-4.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide is C19H28N2O4.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide is 348.20 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-N'-heptylbutanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.