(betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester
TL;DR: (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester (CAS 1285518-49-1) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.11575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (3S)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
Also Known As: ethyl 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate, ethyl (3S)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate, Ethyl (S)-3-amino-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)propanoate, (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester, Ethyl 3-amino-3-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)propanoate
Technical Specifications
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.11575 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.11575 Da |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
| SMILES | CCOC(=O)C[C@@H](C1=CC2=C(C=C1)OCCO2)N |
| InChIKey | UPDOMKNNTODYIN-JTQLQIEISA-N |
Chemical Property Profile of (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester
Property Insights of (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester. Following Lipinski's Rule of Five, (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester 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
What is the CAS number of (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester?
The CAS number of (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester is 1285518-49-1.
What is the molecular formula of (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester?
The molecular formula of (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester is C13H17NO4.
What is the molecular weight of (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester?
The molecular weight of (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester is 251.11575 g/mol.
Where can I buy (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester?
You can request a quote for (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for (betaS)-beta-Amino-2,3-dihydro-1,4-benzodioxin-6-propanoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.