2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid
TL;DR: 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid (CAS 7007-09-2) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylamino)-5-methylhexanoic acid
Also Known As: 2-(1,3-benzodioxol-5-ylamino)-5-methylhexanoic acid, N-(2H-1,3-Benzodioxol-5-yl)-5-methylnorleucine, 2-(benzo[1,3]dioxol-5-ylamino)-5-methyl-hexanoic Acid
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 2.7166 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 458.75922 |
Chemical Identifiers
| CAS Number | 7007-09-2 |
|---|---|
| SMILES | CC(C)CCC(C(=O)O)NC1=CC2=C(C=C1)OCO2 |
Product Overview
2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid (CAS 7007-09-2), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylamino)-5-methylhexanoic acid.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid
Property Insights of 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid
The XLogP value of 2.7166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid 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 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid?
The CAS number of 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid is 7007-09-2.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid?
The molecular formula of 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid is C14H19NO4.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid?
The molecular weight of 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid is 265.13 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid?
You can request a quote for 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylamino)-5-methylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.