1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)
TL;DR: 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1) (CAS 60027-99-8) is a chemical compound with molecular formula C8H15O4P and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
Also Known As: 4-butyl-2,6,7-trioxa-1, 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1), 2-Butyl-2-(hydroxymethyl)-1,3-propanediol, cyclic phosphate (1:1), 4-Butyl-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octan-1-one, RefChem:219629
| Molecular Formula | C8H15O4P |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0708 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 60027-99-8 |
|---|---|
| SMILES | CCCCC12COP(=O)(OC1)OC2 |
| InChIKey | GARDUIWQZKWWMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1) (CAS 60027-99-8), with molecular formula C8H15O4P and molecular weight 206.07 g/mol. IUPAC: 4-butyl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide.
Chemical Property Profile of 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)
Property Insights of 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1). With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1) 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-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)?
The CAS number of 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1) is 60027-99-8.
What is the molecular formula of 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)?
The molecular formula of 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1) is C8H15O4P.
What is the molecular weight of 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)?
The molecular weight of 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1) is 206.07 g/mol.
Where can I buy 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)?
You can request a quote for 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (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-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-butyl-2-(hydroxymethyl)-, cyclic phosphate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.