1,3-Oxathiolane, 2,2-diisopropyl-
TL;DR: 1,3-Oxathiolane, 2,2-diisopropyl- (CAS 16047-99-7) is a chemical compound with molecular formula C9H18OS and molecular weight 174.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-di(propan-2-yl)-1,3-oxathiolane
Also Known As: 2,2-Diisopropyl-1,3-oxathiolane, 2,2-di(propan-2-yl)-1,3-oxathiolane, 1,3-OXATHIOLANE, 2,2-DIISOPROPYL-, 2,2-diisopropyl-[1,3]oxathiolane, 2,2-bis(propan-2-yl)-1,3-oxathiolane
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.10783 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 16047-99-7 |
|---|---|
| SMILES | CC(C)C1(OCCS1)C(C)C |
| InChIKey | OBNXFRXTSJYKSV-UHFFFAOYSA-N |
Product Overview
1,3-Oxathiolane, 2,2-diisopropyl- (CAS 16047-99-7), with molecular formula C9H18OS and molecular weight 174.11 g/mol. IUPAC: 2,2-di(propan-2-yl)-1,3-oxathiolane.
Chemical Property Profile of 1,3-Oxathiolane, 2,2-diisopropyl-
Property Insights of 1,3-Oxathiolane, 2,2-diisopropyl-
The XLogP value of 3.1 indicates that 1,3-Oxathiolane, 2,2-diisopropyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 1,3-Oxathiolane, 2,2-diisopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiolane, 2,2-diisopropyl- 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 1,3-Oxathiolane, 2,2-diisopropyl-?
The CAS number of 1,3-Oxathiolane, 2,2-diisopropyl- is 16047-99-7.
What is the molecular formula of 1,3-Oxathiolane, 2,2-diisopropyl-?
The molecular formula of 1,3-Oxathiolane, 2,2-diisopropyl- is C9H18OS.
What is the molecular weight of 1,3-Oxathiolane, 2,2-diisopropyl-?
The molecular weight of 1,3-Oxathiolane, 2,2-diisopropyl- is 174.11 g/mol.
Where can I buy 1,3-Oxathiolane, 2,2-diisopropyl-?
You can request a quote for 1,3-Oxathiolane, 2,2-diisopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiolane, 2,2-diisopropyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiolane, 2,2-diisopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.