1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide
TL;DR: 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide (CAS 873-97-2) is a chemical compound with molecular formula C6H13O3P and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
Also Known As: Neopentyl methylphosphonate, 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide, 2,5,5-trimethyl-1,3,2, J2.708.615B, 2,5,5-Trimethyl-1,3,2-dioxaphosphorinane-2-one
| Molecular Formula | C6H13O3P |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.06023 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 873-97-2 |
|---|---|
| SMILES | CC1(COP(=O)(OC1)C)C |
| InChIKey | PQSCITIRWCGOKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide (CAS 873-97-2), with molecular formula C6H13O3P and molecular weight 164.06 g/mol. IUPAC: 2,5,5-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
Chemical Property Profile of 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide
Property Insights of 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide. With a topological polar surface area (TPSA) of 35.5 Ų, 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide 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 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide?
The CAS number of 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide is 873-97-2.
What is the molecular formula of 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide?
The molecular formula of 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide is C6H13O3P.
What is the molecular weight of 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide?
The molecular weight of 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide is 164.06 g/mol.
Where can I buy 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide?
You can request a quote for 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Dioxaphosphorinane, 2,5,5-trimethyl-, 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.