RefChem:118420
TL;DR: RefChem:118420 (CAS 68258-65-1) is a chemical compound with molecular formula C20H35NO5 and molecular weight 369.25 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;4-tert-butylbenzoic acid
Also Known As: p-tert-Butylbenzoic acid, triisopropanolamine salt, Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 1,1',1''-nitrilotris[2-propanol] (1:1), Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 1,1',1''-nitrilotris(2-propanol) (1:1), 1-[bis(2-hydroxypropyl)amino]propan-2-ol; 4-tert-butylbenzoic acid, 4-tert-Butylbenzoic acid--1,1',1''-nitrilotri(propan-2-ol) (1/1)
| Molecular Formula | C20H35NO5 |
|---|---|
| Molecular Weight | 369.25 g/mol |
| LogP | 2.11 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.25153 |
| Heavy Atoms | 26 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 68258-65-1 |
|---|---|
| SMILES | CC(CN(CC(C)O)CC(C)O)O.CC(C)(C)C1=CC=C(C=C1)C(=O)O |
| InChIKey | RLZNLRYGISZOQM-UHFFFAOYSA-N |
Product Overview
RefChem:118420 (CAS 68258-65-1), with molecular formula C20H35NO5 and molecular weight 369.25 g/mol. IUPAC: 1-[bis(2-hydroxypropyl)amino]propan-2-ol;4-tert-butylbenzoic acid.
Chemical Property Profile of RefChem:118420
Property Insights of RefChem:118420
The XLogP value of 2.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118420. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118420. Following Lipinski's Rule of Five, RefChem:118420 has 4 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 RefChem:118420?
The CAS number of RefChem:118420 is 68258-65-1.
What is the molecular formula of RefChem:118420?
The molecular formula of RefChem:118420 is C20H35NO5.
What is the molecular weight of RefChem:118420?
The molecular weight of RefChem:118420 is 369.25 g/mol.
Where can I buy RefChem:118420?
You can request a quote for RefChem:118420 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118420?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118420 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.