1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-
TL;DR: 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)- (CAS 86616-93-5) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
Also Known As: 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-, trans-4-Methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid, 4H,1,3-Benzodioxin-2-carboxylic acid, 4-methyl-4-phenyl-, trans-, Acide (methyl-4 phenyl-4 (4H) benzodioxine (1,3)) carboxylique-2 trans [French], Acide (methyl-4 phenyl-4 (4H) benzodioxine (1,3)) carboxylique-2 trans
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.7698 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 637.93494 |
Chemical Identifiers
| CAS Number | 86616-93-5 |
|---|---|
| SMILES | C[C@@]1(C2=CC=CC=C2O[C@@H](O1)C(=O)O)C3=CC=CC=C3 |
Product Overview
1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)- (CAS 86616-93-5), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: (2S,4S)-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid.
Chemical Property Profile of 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-
Property Insights of 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-
The XLogP value of 2.7698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-. With a topological polar surface area (TPSA) of 55.76 Ų, 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)- has 1 hydrogen bond donor(s) and 3 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 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-?
The CAS number of 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)- is 86616-93-5.
What is the molecular formula of 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-?
The molecular formula of 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)- is C16H14O4.
What is the molecular weight of 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-?
The molecular weight of 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)- is 270.09 g/mol.
Where can I buy 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-?
You can request a quote for 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxan-2-carboxylic acid, 4-methyl-4-phenyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.