1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate
TL;DR: 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate (CAS 51486-57-8) is a chemical compound with molecular formula C4H6NO6P and molecular weight 194.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
Also Known As: 4-nitro-2,6,7-trioxa-1, 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate, 2-01-00-00597 (Beilstein Handbook Reference), 4-Nitro-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-oxide, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-nitro-, 1-oxide
| Molecular Formula | C4H6NO6P |
|---|---|
| Molecular Weight | 194.99 g/mol |
| LogP | 0.187 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.99327 |
| Heavy Atoms | 12 |
| Complexity | 245.43744 |
Chemical Identifiers
| CAS Number | 51486-57-8 |
|---|---|
| SMILES | C1C2(COP(=O)(O1)OC2)[N+](=O)[O-] |
Product Overview
1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate (CAS 51486-57-8), with molecular formula C4H6NO6P and molecular weight 194.99 g/mol. IUPAC: 4-nitro-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide.
Chemical Property Profile of 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate
Property Insights of 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate
The XLogP value of 0.187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate has 0 hydrogen bond donor(s) and 6 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-nitro-, cyclic phosphate?
The CAS number of 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate is 51486-57-8.
What is the molecular formula of 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate?
The molecular formula of 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate is C4H6NO6P.
What is the molecular weight of 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate?
The molecular weight of 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate is 194.99 g/mol.
Where can I buy 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate?
You can request a quote for 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate 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-nitro-, cyclic phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.