(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid
TL;DR: (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid (CAS 436855-75-3) is a chemical compound with molecular formula C13H15NO5 and molecular weight 265.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid
Also Known As: BAS 04934543, 2-[(2,3-Dihydro-benzo[1,4]dioxine-6-carbonyl)-amino]-butyric acid, (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid
| Molecular Formula | C13H15NO5 |
|---|---|
| Molecular Weight | 265.10 g/mol |
| LogP | 1.0508 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.09503 |
| Heavy Atoms | 19 |
| Complexity | 499.80698 |
Chemical Identifiers
| CAS Number | 436855-75-3 |
|---|---|
| SMILES | CC[C@@H](C(=O)O)NC(=O)C1=CC2=C(C=C1)OCCO2 |
Product Overview
(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid (CAS 436855-75-3), with molecular formula C13H15NO5 and molecular weight 265.10 g/mol. IUPAC: (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid.
Chemical Property Profile of (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid
Property Insights of (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid
The XLogP value of 1.0508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid. Following Lipinski's Rule of Five, (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic 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 (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid?
The CAS number of (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid is 436855-75-3.
What is the molecular formula of (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid?
The molecular formula of (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid is C13H15NO5.
What is the molecular weight of (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid?
The molecular weight of (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid is 265.10 g/mol.
Where can I buy (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid?
You can request a quote for (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.