2-异丁基-1,3-氧硫杂环戊烷
TL;DR: 2-异丁基-1,3-氧硫杂环戊烷 (CAS 63874-84-0) is a chemical compound with molecular formula C7H14OS and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-异丁基-1,3-氧硫杂环戊烷
2-(2-methylpropyl)-1,3-oxathiolane
Also Known As: 2-Isobutyl-1,3-oxothiolane, 4-Methylpentyl 2-furoate, 2-(2-methylpropyl)-1,3-oxathiolane, 1,3-Oxathiolane, 2-(2-methylpropyl)-, 2-Furancarboxylic acid, 4-methylpentyl ester
| Molecular Formula | C7H14OS |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.07654 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 63874-84-0 |
|---|---|
| SMILES | CC(C)CC1OCCS1 |
| InChIKey | FYGCGLKHZOKOQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-异丁基-1,3-氧硫杂环戊烷 (CAS 63874-84-0), with molecular formula C7H14OS and molecular weight 146.08 g/mol. IUPAC: 2-(2-methylpropyl)-1,3-oxathiolane.
Chemical Property Profile of 2-异丁基-1,3-氧硫杂环戊烷
Property Insights of 2-异丁基-1,3-氧硫杂环戊烷
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-异丁基-1,3-氧硫杂环戊烷. With a topological polar surface area (TPSA) of 34.5 Ų, 2-异丁基-1,3-氧硫杂环戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-异丁基-1,3-氧硫杂环戊烷 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-异丁基-1,3-氧硫杂环戊烷?
The CAS number of 2-异丁基-1,3-氧硫杂环戊烷 is 63874-84-0.
What is the molecular formula of 2-异丁基-1,3-氧硫杂环戊烷?
The molecular formula of 2-异丁基-1,3-氧硫杂环戊烷 is C7H14OS.
What is the molecular weight of 2-异丁基-1,3-氧硫杂环戊烷?
The molecular weight of 2-异丁基-1,3-氧硫杂环戊烷 is 146.08 g/mol.
Where can I buy 2-异丁基-1,3-氧硫杂环戊烷?
You can request a quote for 2-异丁基-1,3-氧硫杂环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-异丁基-1,3-氧硫杂环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2-异丁基-1,3-氧硫杂环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.