Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate
TL;DR: Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate (CAS 181517-86-2) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate
Also Known As: methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate, methyl 3-amino-3-(3,4-methylenedioxyphenyl)propionate, 8R-0602, 1,3-Benzodioxole-5-propanoicacid,-amino-,methylester,(R)-, methyl 3-amino-3-(1,3-dioxaindan-5-yl)propanoate
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 0.9782 |
| Topological Polar Surface Area | 70.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 404.97107 |
Chemical Identifiers
| CAS Number | 181517-86-2 |
|---|---|
| SMILES | COC(=O)CC(C1=CC2=C(C=C1)OCO2)N |
Product Overview
Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate (CAS 181517-86-2), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate.
Chemical Property Profile of Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate
Property Insights of Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate
The XLogP value of 0.9782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate. The TPSA of 70.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate has 1 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 3-amino-3-(1,3-benzodioxol-5-yl)propanoate?
The CAS number of Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate is 181517-86-2.
What is the molecular formula of Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate?
The molecular formula of Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate is C11H13NO4.
What is the molecular weight of Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate?
The molecular weight of Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate is 223.08 g/mol.
Where can I buy Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate?
You can request a quote for Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.