1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)
TL;DR: 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1) (CAS 53845-36-6) is a chemical compound with molecular formula C10H11O3P and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Also Known As: 4-Phenyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane, 4-phenyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-phenyl-, 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1), 2-(Hydroxymethyl)-2-phenyl-1,3-propanediol, cyclic phosphite (1:1)
| Molecular Formula | C10H11O3P |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.04459 |
| Heavy Atoms | 14 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 53845-36-6 |
|---|---|
| SMILES | C1C2(COP(O1)OC2)C3=CC=CC=C3 |
| InChIKey | DRYSMEBNVTYVKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1) (CAS 53845-36-6), with molecular formula C10H11O3P and molecular weight 210.04 g/mol. IUPAC: 4-phenyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane.
Chemical Property Profile of 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)
Property Insights of 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1). With a topological polar surface area (TPSA) of 27.7 Ų, 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, 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-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)?
The CAS number of 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1) is 53845-36-6.
What is the molecular formula of 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)?
The molecular formula of 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1) is C10H11O3P.
What is the molecular weight of 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)?
The molecular weight of 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1) is 210.04 g/mol.
Where can I buy 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)?
You can request a quote for 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, 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-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(hydroxymethyl)-2-phenyl-, cyclic phosphite (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.