RefChem:218799
TL;DR: RefChem:218799 (CAS 58647-65-7) is a chemical compound with molecular formula C22H29NO4Si and molecular weight 399.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl 2,2-diphenylacetate
Also Known As: 1,3-Dioxa-6-aza-2-silacyclooctane-6-ethanol, 2,2-dimethyl-, diphenylacetate (ester), 2,2-Dimethyl-1,3-dioxa-6-aza-2-silacyclooctane-6-ethanol diphenylacetate (ester), Acetic acid, diphenyl-, ester with 2,2-dimethyl-1,3-dioxa-6-aza-2-silacyclooctane-6-ethanol, 2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl 2,2-diphenylacetate, Benzeneacetic acid, alpha-phenyl-, 2-(2,2-dimethyl-1,3-dioxa-6-aza-2-silacyclooct-6-yl)ethyl ester
| Molecular Formula | C22H29NO4Si |
|---|---|
| Molecular Weight | 399.19 g/mol |
| LogP | 3.41 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.18658 |
| Heavy Atoms | 28 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 58647-65-7 |
|---|---|
| SMILES | C[Si]1(OCCN(CCO1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C |
| InChIKey | XNZQSIJTBPUZMS-UHFFFAOYSA-N |
Product Overview
RefChem:218799 (CAS 58647-65-7), with molecular formula C22H29NO4Si and molecular weight 399.19 g/mol. IUPAC: 2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl 2,2-diphenylacetate.
Chemical Property Profile of RefChem:218799
Property Insights of RefChem:218799
The XLogP value of 3.41 indicates that RefChem:218799 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, RefChem:218799 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:218799 has 0 hydrogen bond donor(s) and 5 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 RefChem:218799?
The CAS number of RefChem:218799 is 58647-65-7.
What is the molecular formula of RefChem:218799?
The molecular formula of RefChem:218799 is C22H29NO4Si.
What is the molecular weight of RefChem:218799?
The molecular weight of RefChem:218799 is 399.19 g/mol.
Where can I buy RefChem:218799?
You can request a quote for RefChem:218799 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:218799?
Yes, KEHONG BIO provides custom synthesis services for RefChem:218799 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.