5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物
TL;DR: 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物 (CAS 38943-35-0) is a chemical compound with molecular formula C9H7ClO2S and molecular weight 213.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物
5-(4-chlorophenyl)-1,3-oxathiole 3-oxide
Also Known As: 5-(4-chlorophenyl)-1,3-oxathiole 3-oxide, 6-methyl-1-oxa-spiro[2.5]octane, 5-(4-Chlorophenyl)-1,3lambda~4~-oxathiol-3(2H)-one
| Molecular Formula | C9H7ClO2S |
|---|---|
| Molecular Weight | 213.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.98553 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 38943-35-0 |
|---|---|
| SMILES | C1OC(=CS1=O)C2=CC=C(C=C2)Cl |
| InChIKey | UPTMCCUHJKGQGB-UHFFFAOYSA-N |
Product Overview
5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物 (CAS 38943-35-0), with molecular formula C9H7ClO2S and molecular weight 213.99 g/mol. IUPAC: 5-(4-chlorophenyl)-1,3-oxathiole 3-oxide.
Chemical Property Profile of 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物
Property Insights of 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物. With a topological polar surface area (TPSA) of 45.5 Ų, 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物 has 0 hydrogen bond donor(s) and 3 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 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物?
The CAS number of 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物 is 38943-35-0.
What is the molecular formula of 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物?
The molecular formula of 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物 is C9H7ClO2S.
What is the molecular weight of 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物?
The molecular weight of 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物 is 213.99 g/mol.
Where can I buy 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物?
You can request a quote for 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-氯苯基)-1,3-噁硫杂环戊烯3-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.