2-(4-氯苯基)-1,3-噁硫杂环戊烷
TL;DR: 2-(4-氯苯基)-1,3-噁硫杂环戊烷 (CAS 22391-05-5) is a chemical compound with molecular formula C9H9ClOS and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-氯苯基)-1,3-噁硫杂环戊烷
2-(4-chlorophenyl)-1,3-oxathiolane
Also Known As: 2-(4-chlorophenyl)-1,3-oxathiolane, 2-(p-Chlorophenyl)-1,3-oxathiolane, 1,3-OXATHIOLANE, 2-(p-CHLOROPHENYL)-, 4-Chlorobenzaldehyde O,S-ethylenethioacetal, 5-19-01-00449 (Beilstein Handbook Reference)
| Molecular Formula | C9H9ClOS |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.00627 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 22391-05-5 |
|---|---|
| SMILES | C1CSC(O1)C2=CC=C(C=C2)Cl |
| InChIKey | SZAPXYMTZBFEND-UHFFFAOYSA-N |
Product Overview
2-(4-氯苯基)-1,3-噁硫杂环戊烷 (CAS 22391-05-5), with molecular formula C9H9ClOS and molecular weight 200.01 g/mol. IUPAC: 2-(4-chlorophenyl)-1,3-oxathiolane.
Chemical Property Profile of 2-(4-氯苯基)-1,3-噁硫杂环戊烷
Property Insights of 2-(4-氯苯基)-1,3-噁硫杂环戊烷
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-氯苯基)-1,3-噁硫杂环戊烷. With a topological polar surface area (TPSA) of 34.5 Ų, 2-(4-氯苯基)-1,3-噁硫杂环戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-氯苯基)-1,3-噁硫杂环戊烷 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 2-(4-氯苯基)-1,3-噁硫杂环戊烷?
The CAS number of 2-(4-氯苯基)-1,3-噁硫杂环戊烷 is 22391-05-5.
What is the molecular formula of 2-(4-氯苯基)-1,3-噁硫杂环戊烷?
The molecular formula of 2-(4-氯苯基)-1,3-噁硫杂环戊烷 is C9H9ClOS.
What is the molecular weight of 2-(4-氯苯基)-1,3-噁硫杂环戊烷?
The molecular weight of 2-(4-氯苯基)-1,3-噁硫杂环戊烷 is 200.01 g/mol.
Where can I buy 2-(4-氯苯基)-1,3-噁硫杂环戊烷?
You can request a quote for 2-(4-氯苯基)-1,3-噁硫杂环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-氯苯基)-1,3-噁硫杂环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-氯苯基)-1,3-噁硫杂环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.