n-1,3-Benzodioxol-5-yl-beta-alanine
TL;DR: n-1,3-Benzodioxol-5-yl-beta-alanine (CAS 220841-85-0) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylamino)propanoic acid
Also Known As: n-1,3-benzodioxol-5-yl-beta-alanine, 3-(1,3-benzodioxol-5-ylamino)propanoic acid, 3-(benzo[1,3]dioxol-5-ylamino)propanoic Acid, 3-[(2h-1,3-benzodioxol-5-yl)amino]propanoic acid
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.3019 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 377.68518 |
Chemical Identifiers
| CAS Number | 220841-85-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NCCC(=O)O |
Product Overview
n-1,3-Benzodioxol-5-yl-beta-alanine (CAS 220841-85-0), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylamino)propanoic acid.
Chemical Property Profile of n-1,3-Benzodioxol-5-yl-beta-alanine
Property Insights of n-1,3-Benzodioxol-5-yl-beta-alanine
The XLogP value of 1.3019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-1,3-Benzodioxol-5-yl-beta-alanine. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for n-1,3-Benzodioxol-5-yl-beta-alanine. Following Lipinski's Rule of Five, n-1,3-Benzodioxol-5-yl-beta-alanine 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-yl-beta-alanine?
The CAS number of n-1,3-Benzodioxol-5-yl-beta-alanine is 220841-85-0.
What is the molecular formula of n-1,3-Benzodioxol-5-yl-beta-alanine?
The molecular formula of n-1,3-Benzodioxol-5-yl-beta-alanine is C10H11NO4.
What is the molecular weight of n-1,3-Benzodioxol-5-yl-beta-alanine?
The molecular weight of n-1,3-Benzodioxol-5-yl-beta-alanine is 209.07 g/mol.
Where can I buy n-1,3-Benzodioxol-5-yl-beta-alanine?
You can request a quote for n-1,3-Benzodioxol-5-yl-beta-alanine 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-yl-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for n-1,3-Benzodioxol-5-yl-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.