RefChem:348281
TL;DR: RefChem:348281 (CAS 57327-80-7) is a chemical compound with molecular formula C33H48N4O8 and molecular weight 628.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(dipropylamino)-3-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]benzamide;oxalic acid
Also Known As: CR 609, 3-hydroxy-2-methyl-acrylaldehyde, Hydrocinnamamide, alpha-(benzoylamino)-N,N-dipropyl-4-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, oxalate, (+-)-, O-(3-(N''-Hydroxyethylpiperazine)-N'-propyl)-N-benzoyl-DL-tyrosyl-di-n-propylamide oxalate, N-[1-(dipropylamino)-3-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]benzamide,oxalic acid
| Molecular Formula | C33H48N4O8 |
|---|---|
| Molecular Weight | 628.35 g/mol |
| LogP | 2.21 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 628.3472 |
| Heavy Atoms | 45 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 57327-80-7 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)CCO)NC(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O |
| InChIKey | GKAKYWQREHNALZ-UHFFFAOYSA-N |
Product Overview
RefChem:348281 (CAS 57327-80-7), with molecular formula C33H48N4O8 and molecular weight 628.35 g/mol. IUPAC: N-[1-(dipropylamino)-3-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]benzamide;oxalic acid.
Chemical Property Profile of RefChem:348281
Property Insights of RefChem:348281
The XLogP value of 2.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:348281. The TPSA of 160.0 Ų indicates high polarity, suggesting RefChem:348281 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:348281 has 4 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:348281?
The CAS number of RefChem:348281 is 57327-80-7.
What is the molecular formula of RefChem:348281?
The molecular formula of RefChem:348281 is C33H48N4O8.
What is the molecular weight of RefChem:348281?
The molecular weight of RefChem:348281 is 628.35 g/mol.
Where can I buy RefChem:348281?
You can request a quote for RefChem:348281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348281?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.