panediol(1:2)
TL;DR: panediol(1:2) (CAS 62796-28-5) is a chemical compound with molecular formula C16H32N3O10P and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-amino-2-ethylpropane-1,3-diol);(4-nitrophenyl) dihydrogen phosphate
Also Known As: panediol(1:2), Mono(4-nitrophenyl) phosphate 2-ethyl-2-amino-1,3-propanediol salt (1:2), Phosphoric acid, mono(4-nitrophenyl) ester, compd. with 2-amino-2-ethyl-1,3-propanediol (1:2), 2-amino-2-ethylpropane-1,3-diol;(4-nitrophenyl) dihydrogen phosphate, p-Nitrophenylphosphate, 2-amino-2-ethyl-1,3-propanediol salt
| Molecular Formula | C16H32N3O10P |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | -0.78 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.18253 |
| Heavy Atoms | 30 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 62796-28-5 |
|---|---|
| SMILES | CCC(CO)(CO)N.CCC(CO)(CO)N.C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O |
| InChIKey | YVXXRFJXBIWXFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
panediol(1:2) (CAS 62796-28-5), with molecular formula C16H32N3O10P and molecular weight 457.18 g/mol. IUPAC: bis(2-amino-2-ethylpropane-1,3-diol);(4-nitrophenyl) dihydrogen phosphate.
Chemical Property Profile of panediol(1:2)
Property Insights of panediol(1:2)
The XLogP value of -0.78 indicates that panediol(1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 246.0 Ų indicates high polarity, suggesting panediol(1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, panediol(1:2) has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of panediol(1:2)?
The CAS number of panediol(1:2) is 62796-28-5.
What is the molecular formula of panediol(1:2)?
The molecular formula of panediol(1:2) is C16H32N3O10P.
What is the molecular weight of panediol(1:2)?
The molecular weight of panediol(1:2) is 457.18 g/mol.
Where can I buy panediol(1:2)?
You can request a quote for panediol(1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for panediol(1:2)?
Yes, KEHONG BIO provides custom synthesis services for panediol(1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.