![6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid structure](/static/products/858/858766-13-9.png)
6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid
TL;DR: 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid (CAS 858766-13-9) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-ylcarbamoylamino)hexanoic acid
Also Known As: 6-(1,3-benzodioxol-5-ylcarbamoylamino)hexanoic acid, 6-(benzo[1,3]dioxol-5-ylcarbamoylamino)hexanoic Acid, 6-(3-(benzo[d][1,3]dioxol-5-yl)ureido)hexanoic acid, 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoic acid
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 2.1818 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 518.0859 |
Chemical Identifiers
| CAS Number | 858766-13-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)NCCCCCC(=O)O |
Product Overview
6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid (CAS 858766-13-9), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: 6-(1,3-benzodioxol-5-ylcarbamoylamino)hexanoic acid.
Chemical Property Profile of 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid
Property Insights of 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid
The XLogP value of 2.1818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid. Following Lipinski's Rule of Five, 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid has 3 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 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid?
The CAS number of 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid is 858766-13-9.
What is the molecular formula of 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid?
The molecular formula of 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid is C14H18N2O5.
What is the molecular weight of 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid?
The molecular weight of 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid is 294.12 g/mol.
Where can I buy 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid?
You can request a quote for 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[(1,3-Benzodioxol-5-ylcarbamoyl)amino]hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.