2-(4-甲氧基苯基)-1,3-噁噻烷
TL;DR: 2-(4-甲氧基苯基)-1,3-噁噻烷 (CAS 5466-31-9) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-甲氧基苯基)-1,3-噁噻烷
2-(4-methoxyphenyl)-1,3-oxathiolane
Also Known As: 2-(4-methoxyphenyl)-1,3-oxathiolane, 2-(p-Methoxyphenyl)-1,3-oxathiolane, 1,3-Oxathiolane, 2-(p-methoxyphenyl)-, 2-(-p-methoxyphenyl)-1,3-oxathiolane, p-Anisaldehyde (ethane-1,2-diyl)thioacetal
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 5466-31-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2OCCS2 |
| InChIKey | NBNWRXAIBYMACK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-甲氧基苯基)-1,3-噁噻烷 (CAS 5466-31-9), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 2-(4-methoxyphenyl)-1,3-oxathiolane.
Chemical Property Profile of 2-(4-甲氧基苯基)-1,3-噁噻烷
Property Insights of 2-(4-甲氧基苯基)-1,3-噁噻烷
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-甲氧基苯基)-1,3-噁噻烷. With a topological polar surface area (TPSA) of 43.8 Ų, 2-(4-甲氧基苯基)-1,3-噁噻烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-甲氧基苯基)-1,3-噁噻烷 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 2-(4-甲氧基苯基)-1,3-噁噻烷?
The CAS number of 2-(4-甲氧基苯基)-1,3-噁噻烷 is 5466-31-9.
What is the molecular formula of 2-(4-甲氧基苯基)-1,3-噁噻烷?
The molecular formula of 2-(4-甲氧基苯基)-1,3-噁噻烷 is C10H12O2S.
What is the molecular weight of 2-(4-甲氧基苯基)-1,3-噁噻烷?
The molecular weight of 2-(4-甲氧基苯基)-1,3-噁噻烷 is 196.06 g/mol.
Where can I buy 2-(4-甲氧基苯基)-1,3-噁噻烷?
You can request a quote for 2-(4-甲氧基苯基)-1,3-噁噻烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-甲氧基苯基)-1,3-噁噻烷?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-甲氧基苯基)-1,3-噁噻烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.