Tropine p-chlorophenoxyacetate
TL;DR: Tropine p-chlorophenoxyacetate (CAS 6658-61-3) is a chemical compound with molecular formula C16H20ClNO3 and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenoxy)acetate
Also Known As: Tropine p-chlorophenoxyacetate, 3-alpha-Tropanyl (p-Chlorophenoxy)acetate, 5-21-01-00233 (Beilstein Handbook Reference), Acetic acid, (p-chlorophenoxy)-, 3-alpha-tropanyl ester, Acetic acid, (4-chlorophenoxy)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-
| Molecular Formula | C16H20ClNO3 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.11316 |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 6658-61-3 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)COC3=CC=C(C=C3)Cl |
| InChIKey | YFWVASHYHJNIQC-UHFFFAOYSA-N |
Product Overview
Tropine p-chlorophenoxyacetate (CAS 6658-61-3), with molecular formula C16H20ClNO3 and molecular weight 309.11 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of Tropine p-chlorophenoxyacetate
Property Insights of Tropine p-chlorophenoxyacetate
The XLogP value of 3.7 indicates that Tropine p-chlorophenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Tropine p-chlorophenoxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropine p-chlorophenoxyacetate has 0 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 Tropine p-chlorophenoxyacetate?
The CAS number of Tropine p-chlorophenoxyacetate is 6658-61-3.
What is the molecular formula of Tropine p-chlorophenoxyacetate?
The molecular formula of Tropine p-chlorophenoxyacetate is C16H20ClNO3.
What is the molecular weight of Tropine p-chlorophenoxyacetate?
The molecular weight of Tropine p-chlorophenoxyacetate is 309.11 g/mol.
Where can I buy Tropine p-chlorophenoxyacetate?
You can request a quote for Tropine p-chlorophenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropine p-chlorophenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Tropine p-chlorophenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.