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Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]
TL;DR: Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] (CAS 67874-53-7) is a chemical compound with molecular formula C12H33NO10P2 and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylamino)ethanol;octyl dihydrogen phosphate;phosphoric acid
Also Known As: Octyl phosphate, diethanolamine salt, Phosphoric acid, octyl ester, diethanolamine salt, Phosphoric acid, octyl ester, compd. with 2,2'-iminobis(ethanol), Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol], 2-(2-hydroxyethylamino)ethanol; octyl dihydrogen phosphate; phosphoric acid
| Molecular Formula | C12H33NO10P2 |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 0.0882 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 413.15796 |
| Heavy Atoms | 25 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 67874-53-7 |
|---|---|
| SMILES | CCCCCCCCOP(=O)(O)O.C(CO)NCCO.OP(=O)(O)O |
| InChIKey | OGZJLZSUJSHOBV-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] (CAS 67874-53-7), with molecular formula C12H33NO10P2 and molecular weight 413.16 g/mol. IUPAC: 2-(2-hydroxyethylamino)ethanol;octyl dihydrogen phosphate;phosphoric acid.
Chemical Property Profile of Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]
Property Insights of Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]
The XLogP value of 0.0882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]. The TPSA of 197.0 Ų indicates high polarity, suggesting Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]?
The CAS number of Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] is 67874-53-7.
What is the molecular formula of Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]?
The molecular formula of Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] is C12H33NO10P2.
What is the molecular weight of Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]?
The molecular weight of Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] is 413.16 g/mol.
Where can I buy Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]?
You can request a quote for Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol]?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, octyl ester, compd. with 2,2'-iminobis[ethanol] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.