1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)
TL;DR: 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester) (CAS 1125-06-0) is a chemical compound with molecular formula C7H14O3S and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-5-propyl-1,3,2-dioxathiane 2-oxide
Also Known As: 1,3,2-Dioxathiane, 5-methyl-5-propyl-, 2-oxide, 5-methyl-5-propyl-1,3,2-dioxathiane 2-oxide, 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester), 2-Methyl-2-propyl-1,3-propanediol cyclic sulfite (ester), 5-methyl-5-propyl-[1,3,2]dioxathiane 2-oxide
| Molecular Formula | C7H14O3S |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06636 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 1125-06-0 |
|---|---|
| SMILES | CCCC1(COS(=O)OC1)C |
| InChIKey | QALYZHVQQCMANW-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester) (CAS 1125-06-0), with molecular formula C7H14O3S and molecular weight 178.07 g/mol. IUPAC: 5-methyl-5-propyl-1,3,2-dioxathiane 2-oxide.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)
Property Insights of 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester). With a topological polar surface area (TPSA) of 54.7 Ų, 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester) has 0 hydrogen bond donor(s) and 4 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-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)?
The CAS number of 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester) is 1125-06-0.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)?
The molecular formula of 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester) is C7H14O3S.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)?
The molecular weight of 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester) is 178.07 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)?
You can request a quote for 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.