![Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate structure](/static/products/848/848204-98-8.png)
Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate
TL;DR: Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate (CAS 848204-98-8) is a chemical compound with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(1,3-benzodioxol-5-ylcarbamoylamino)hexanoate
Also Known As: methyl 6-(1,3-benzodioxol-5-ylcarbamoylamino)hexanoate, methyl 6-(3-(benzo[d][1,3]dioxol-5-yl)ureido)hexanoate, methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate
| Molecular Formula | C15H20N2O5 |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | 2.2702 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.1372 |
| Heavy Atoms | 22 |
| Complexity | 532.6641 |
Chemical Identifiers
| CAS Number | 848204-98-8 |
|---|---|
| SMILES | COC(=O)CCCCCNC(=O)NC1=CC2=C(C=C1)OCO2 |
Product Overview
Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate (CAS 848204-98-8), with molecular formula C15H20N2O5 and molecular weight 308.14 g/mol. IUPAC: methyl 6-(1,3-benzodioxol-5-ylcarbamoylamino)hexanoate.
Chemical Property Profile of Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate
Property Insights of Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate
The XLogP value of 2.2702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate. Following Lipinski's Rule of Five, Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate has 2 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 Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate?
The CAS number of Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate is 848204-98-8.
What is the molecular formula of Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate?
The molecular formula of Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate is C15H20N2O5.
What is the molecular weight of Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate?
The molecular weight of Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate is 308.14 g/mol.
Where can I buy Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate?
You can request a quote for Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-[(1,3-benzodioxol-5-ylcarbamoyl)amino]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.