4-(2-Chlor-aethoxy)-benzoesaeure
TL;DR: 4-(2-Chlor-aethoxy)-benzoesaeure (CAS 73392-20-8) is a chemical compound with molecular formula C13H21ClO2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-1',7',7'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
Also Known As: 4-(2-Chlor-aethoxy)-benzoesaeure, 4'-(chloromethyl)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane], 4'-(Chloromethyl)-1,7,7-trimethylspiro(bicyclo(2.2.1)heptane-2,2'-(1,3)dioxolane), 4-(chloromethyl)-4',7',7'-trimethylspiro[1,3-dioxolane-2,3'-, 4-(chloromethyl)-4',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]
| Molecular Formula | C13H21ClO2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.123 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 73392-20-8 |
|---|---|
| SMILES | CC1(C2CCC1(C3(C2)OCC(O3)CCl)C)C |
| InChIKey | VANNDJWVQQQRBO-UHFFFAOYSA-N |
Product Overview
4-(2-Chlor-aethoxy)-benzoesaeure (CAS 73392-20-8), with molecular formula C13H21ClO2 and molecular weight 244.12 g/mol. IUPAC: 4-(chloromethyl)-1',7',7'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane].
Chemical Property Profile of 4-(2-Chlor-aethoxy)-benzoesaeure
Property Insights of 4-(2-Chlor-aethoxy)-benzoesaeure
The XLogP value of 3.2 indicates that 4-(2-Chlor-aethoxy)-benzoesaeure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 4-(2-Chlor-aethoxy)-benzoesaeure exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chlor-aethoxy)-benzoesaeure has 0 hydrogen bond donor(s) and 2 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 4-(2-Chlor-aethoxy)-benzoesaeure?
The CAS number of 4-(2-Chlor-aethoxy)-benzoesaeure is 73392-20-8.
What is the molecular formula of 4-(2-Chlor-aethoxy)-benzoesaeure?
The molecular formula of 4-(2-Chlor-aethoxy)-benzoesaeure is C13H21ClO2.
What is the molecular weight of 4-(2-Chlor-aethoxy)-benzoesaeure?
The molecular weight of 4-(2-Chlor-aethoxy)-benzoesaeure is 244.12 g/mol.
Where can I buy 4-(2-Chlor-aethoxy)-benzoesaeure?
You can request a quote for 4-(2-Chlor-aethoxy)-benzoesaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chlor-aethoxy)-benzoesaeure?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chlor-aethoxy)-benzoesaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.