RefChem:76887
TL;DR: RefChem:76887 (CAS 67953-26-8) is a chemical compound with molecular formula C18H42NO7P and molecular weight 415.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;bis(4-methylpentyl) hydrogen phosphate
Also Known As: Phosphoric acid, bis(4-methylpentyl) ester, compd. with tris(2-hydroxyethyl)amine (1:1), bis(4-methylpentyl) hydrogen phosphate- 2,2',2''-nitrilotriethanol(1:1), 1-Pentanol, 4-methyl-, hydrogen phosphate, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 1-Pentanol, 4-methyl-, hydrogen phosphate, compd. with 2,2',2''-nitrilotris[ethanol] (1:1), 1-Pentanol, 4-methyl-, 1,1'-(hydrogen phosphate), compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
| Molecular Formula | C18H42NO7P |
|---|---|
| Molecular Weight | 415.27 g/mol |
| LogP | 2.26 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 415.2699 |
| Heavy Atoms | 27 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 67953-26-8 |
|---|---|
| SMILES | CC(C)CCCOP(=O)(O)OCCCC(C)C.C(CO)N(CCO)CCO |
| InChIKey | SWWZUGJVKBKYRR-UHFFFAOYSA-N |
Product Overview
RefChem:76887 (CAS 67953-26-8), with molecular formula C18H42NO7P and molecular weight 415.27 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;bis(4-methylpentyl) hydrogen phosphate.
Chemical Property Profile of RefChem:76887
Property Insights of RefChem:76887
The XLogP value of 2.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:76887. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:76887. Following Lipinski's Rule of Five, RefChem:76887 has 4 hydrogen bond donor(s) and 8 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 RefChem:76887?
The CAS number of RefChem:76887 is 67953-26-8.
What is the molecular formula of RefChem:76887?
The molecular formula of RefChem:76887 is C18H42NO7P.
What is the molecular weight of RefChem:76887?
The molecular weight of RefChem:76887 is 415.27 g/mol.
Where can I buy RefChem:76887?
You can request a quote for RefChem:76887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:76887?
Yes, KEHONG BIO provides custom synthesis services for RefChem:76887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.