Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-
TL;DR: Benzeneacetic acid, 4-(1,3-dioxan-2-yl)- (CAS 43153-18-0) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-dioxan-2-yl)phenyl]acetic acid
Also Known As: 4-(1,3-Dioxan-2-yl)benzeneacetic acid, Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-, Acide (dioxanne-2,6)-4 phenylacetique, 2-(4-formylphenyl)propanoic Acid, 2-[4-(1,3-dioxan-2-yl)phenyl]acetic acid
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 43153-18-0 |
|---|---|
| SMILES | C1COC(OC1)C2=CC=C(C=C2)CC(=O)O |
| InChIKey | TYLYMTQVHRTRCO-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 4-(1,3-dioxan-2-yl)- (CAS 43153-18-0), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 2-[4-(1,3-dioxan-2-yl)phenyl]acetic acid.
Chemical Property Profile of Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-
Property Insights of Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-. With a topological polar surface area (TPSA) of 55.8 Ų, Benzeneacetic acid, 4-(1,3-dioxan-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-(1,3-dioxan-2-yl)- has 1 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 Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-?
The CAS number of Benzeneacetic acid, 4-(1,3-dioxan-2-yl)- is 43153-18-0.
What is the molecular formula of Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-?
The molecular formula of Benzeneacetic acid, 4-(1,3-dioxan-2-yl)- is C12H14O4.
What is the molecular weight of Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-?
The molecular weight of Benzeneacetic acid, 4-(1,3-dioxan-2-yl)- is 222.09 g/mol.
Where can I buy Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-?
You can request a quote for Benzeneacetic acid, 4-(1,3-dioxan-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-(1,3-dioxan-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-(1,3-dioxan-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.