RefChem:118423
TL;DR: RefChem:118423 (CAS 59993-86-1) is a chemical compound with molecular formula C17H29NO5 and molecular weight 327.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;4-tert-butylbenzoic acid
Also Known As: p-tert-Butylbenzoic acid, triethanolamine salt, p-t-Butylbenzoic acid, triethanolamine salt, p-tert-Butylbenozic acid, triethanolamine salt, Triethanolamine 4-tert-butylbenzoate (salt), Triethanolamine p-tert-butylbenzoate (salt)
| Molecular Formula | C17H29NO5 |
|---|---|
| Molecular Weight | 327.20 g/mol |
| LogP | 0.95 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 327.20456 |
| Heavy Atoms | 23 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 59993-86-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)O.C(CO)N(CCO)CCO |
| InChIKey | GUIXCMVLDXWZDB-UHFFFAOYSA-N |
Product Overview
RefChem:118423 (CAS 59993-86-1), with molecular formula C17H29NO5 and molecular weight 327.20 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;4-tert-butylbenzoic acid.
Chemical Property Profile of RefChem:118423
Property Insights of RefChem:118423
The XLogP value of 0.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:118423. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118423. Following Lipinski's Rule of Five, RefChem:118423 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:118423?
The CAS number of RefChem:118423 is 59993-86-1.
What is the molecular formula of RefChem:118423?
The molecular formula of RefChem:118423 is C17H29NO5.
What is the molecular weight of RefChem:118423?
The molecular weight of RefChem:118423 is 327.20 g/mol.
Where can I buy RefChem:118423?
You can request a quote for RefChem:118423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118423?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.