RefChem:217821
TL;DR: RefChem:217821 (CAS 86616-85-5) is a chemical compound with molecular formula C18H17ClO4 and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate
Also Known As: 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, ethyl ester, (E)-, trans-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid ethyl ester, 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, ethyl ester, trans-, ethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate, Ethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-2H,4H-1,3-benzodioxine-2-carboxylate
| Molecular Formula | C18H17ClO4 |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 3.9017 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.08154 |
| Heavy Atoms | 23 |
| Complexity | 716.21643 |
Chemical Identifiers
| CAS Number | 86616-85-5 |
|---|---|
| SMILES | CCOC(=O)[C@H]1OC2=C(C=C(C=C2)Cl)[C@](O1)(C)C3=CC=CC=C3 |
Product Overview
RefChem:217821 (CAS 86616-85-5), with molecular formula C18H17ClO4 and molecular weight 332.08 g/mol. IUPAC: ethyl (2S,4S)-6-chloro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylate.
Chemical Property Profile of RefChem:217821
Property Insights of RefChem:217821
The XLogP value of 3.9017 indicates that RefChem:217821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, RefChem:217821 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:217821 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 RefChem:217821?
The CAS number of RefChem:217821 is 86616-85-5.
What is the molecular formula of RefChem:217821?
The molecular formula of RefChem:217821 is C18H17ClO4.
What is the molecular weight of RefChem:217821?
The molecular weight of RefChem:217821 is 332.08 g/mol.
Where can I buy RefChem:217821?
You can request a quote for RefChem:217821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:217821?
Yes, KEHONG BIO provides custom synthesis services for RefChem:217821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.