Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1)
TL;DR: Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1) (CAS 68213-79-6) is a chemical compound with molecular formula C15H27NO4 and molecular weight 285.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(2-hydroxypropyl)amino]propan-2-ol;phenol
Also Known As: Phenol, triisopropanolamine salt, Triisopropanolamine phenolate, 1-[bis(2-hydroxypropyl)amino]propan-2-ol; phenol, Phenol, compd. with 1,1',1''-nitrilotris[2-propanol] (1:1), 1,1',1''-Nitrilotri(propan-2-ol)--phenol (1/1)
| Molecular Formula | C15H27NO4 |
|---|---|
| Molecular Weight | 285.19 g/mol |
| LogP | 0.82 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.194 |
| Heavy Atoms | 20 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 68213-79-6 |
|---|---|
| SMILES | CC(CN(CC(C)O)CC(C)O)O.C1=CC=C(C=C1)O |
| InChIKey | ZMXIHDNKGZUANT-UHFFFAOYSA-N |
Product Overview
Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1) (CAS 68213-79-6), with molecular formula C15H27NO4 and molecular weight 285.19 g/mol. IUPAC: 1-[bis(2-hydroxypropyl)amino]propan-2-ol;phenol.
Chemical Property Profile of Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1)
Property Insights of Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1)
The XLogP value of 0.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1). The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1). Following Lipinski's Rule of Five, Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1) has 4 hydrogen bond donor(s) and 5 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 Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1)?
The CAS number of Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1) is 68213-79-6.
What is the molecular formula of Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1)?
The molecular formula of Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1) is C15H27NO4.
What is the molecular weight of Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1)?
The molecular weight of Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1) is 285.19 g/mol.
Where can I buy Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1)?
You can request a quote for Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.