Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride
TL;DR: Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride (CAS 66859-45-8) is a chemical compound with molecular formula C11H14ClNO4 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzodioxol-5-yl)-3-carboxypropyl]azanium chloride
Also Known As: 4-Amino-2-(3,4-methylenedioxyphenyl)butyric acid hydrochloride, [3-(1,3-benzodioxol-5-yl)-4-hydroxy-4-oxobutyl]azanium chloride, BUTYRIC ACID, 4-AMINO-2-(3,4-METHYLENEDIOXYPHENYL)-, HYDROCHLORIDE, 1,3-Benzodioxole-5-acetic acid, .alpha.-(2-aminoethyl)-, hydrochloride, RefChem:1080487
| Molecular Formula | C11H14ClNO4 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | -2.78 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.06113 |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 66859-45-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(CC[NH3+])C(=O)O.[Cl-] |
| InChIKey | KTNQKFIJYUQYFE-UHFFFAOYSA-N |
Product Overview
Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride (CAS 66859-45-8), with molecular formula C11H14ClNO4 and molecular weight 259.06 g/mol. IUPAC: [3-(1,3-benzodioxol-5-yl)-3-carboxypropyl]azanium chloride.
Chemical Property Profile of Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride
Property Insights of Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride
The XLogP value of -2.78 indicates that Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride. Following Lipinski's Rule of Five, Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride 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 Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride?
The CAS number of Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride is 66859-45-8.
What is the molecular formula of Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride?
The molecular formula of Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride is C11H14ClNO4.
What is the molecular weight of Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride?
The molecular weight of Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride is 259.06 g/mol.
Where can I buy Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride?
You can request a quote for Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 4-amino-2-(3,4-methylenedioxyphenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.