RefChem:478368
TL;DR: RefChem:478368 (CAS 68227-54-3) is a chemical compound with molecular formula C29H50N6O4 and molecular weight 546.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(2-aminoethyl)amino]-3-[4-[2-[4-[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol
Also Known As: 1,1'-(Isopropylidenebis(p-phenyleneoxy))bis(3-(bis(2-aminoethyl)amino)propan-2-ol), 2-Propanol, 1,1'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[3-[bis(2-aminoethyl)amino]-, 1,1'-[isopropylidenebis ]bis[3-[bis amino]propan-2-ol], 2-Propanol, 1,1'-((1-methylethylidene)bis(4,1-phenyleneoxy))bis(3-(bis(2-aminoethyl)amino)-, 1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-[bis(2-aminoethyl)amino]propan-2-ol]
| Molecular Formula | C29H50N6O4 |
|---|---|
| Molecular Weight | 546.39 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 20 |
| Exact Mass | 546.38934 |
| Heavy Atoms | 39 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 68227-54-3 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)OCC(CN(CCN)CCN)O)C2=CC=C(C=C2)OCC(CN(CCN)CCN)O |
| InChIKey | FYGFNBBAJLHGHA-UHFFFAOYSA-N |
Product Overview
RefChem:478368 (CAS 68227-54-3), with molecular formula C29H50N6O4 and molecular weight 546.39 g/mol. IUPAC: 1-[bis(2-aminoethyl)amino]-3-[4-[2-[4-[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propan-2-ol.
Chemical Property Profile of RefChem:478368
Property Insights of RefChem:478368
The XLogP value of -0.3 indicates that RefChem:478368 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting RefChem:478368 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:478368 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:478368?
The CAS number of RefChem:478368 is 68227-54-3.
What is the molecular formula of RefChem:478368?
The molecular formula of RefChem:478368 is C29H50N6O4.
What is the molecular weight of RefChem:478368?
The molecular weight of RefChem:478368 is 546.39 g/mol.
Where can I buy RefChem:478368?
You can request a quote for RefChem:478368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:478368?
Yes, KEHONG BIO provides custom synthesis services for RefChem:478368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.