1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)
TL;DR: 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1) (CAS 67590-46-9) is a chemical compound with molecular formula C8H15O3P and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Also Known As: 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1), 4-(tert-Butyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(tert-butyl)-, 2-(tert-Butyl)-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphite (1:1), 4-tert-butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
| Molecular Formula | C8H15O3P |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.07588 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 67590-46-9 |
|---|---|
| SMILES | CC(C)(C)C12COP(OC1)OC2 |
| InChIKey | LYBMOIDTZZHAOT-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1) (CAS 67590-46-9), with molecular formula C8H15O3P and molecular weight 190.08 g/mol. IUPAC: 4-tert-butyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)
Property Insights of 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1). With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1) 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-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)?
The CAS number of 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1) is 67590-46-9.
What is the molecular formula of 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)?
The molecular formula of 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1) is C8H15O3P.
What is the molecular weight of 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)?
The molecular weight of 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1) is 190.08 g/mol.
Where can I buy 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)?
You can request a quote for 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1) 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-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(tert-butyl)-2-(hydroxymethyl)-, cyclic phosphite (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.