RefChem:1078578
TL;DR: RefChem:1078578 (CAS 57227-30-2) is a chemical compound with molecular formula C38H50N4O7 and molecular weight 674.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[4-[3-(4-benzylpiperazin-1-yl)propoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid
Also Known As: CR 619, Hydrocinnamamide, alpha-(benzoylamino)-4-(3-(4-benzyl-1-piperazinyl)propoxy)-N,N-dipropyl-, oxalate, (+-)-, O-(3-(N''-Benzylpiperazine)-N'-propyl)-N-benzoyl-DL-tyrosyl-di-n-propylamide oxalate, Benzenepropanamide, alpha-(benzoylamino)-4-(3-(4-(phenylmethyl)-1-piperazinyl)propoxy)-N,N-dipropyl-, ethanedioate (1:?), N-[3-[4-[3-(4-benzylpiperazin-1-yl)propoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide; oxalic acid
| Molecular Formula | C38H50N4O7 |
|---|---|
| Molecular Weight | 674.37 g/mol |
| LogP | 4.42 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 674.3679 |
| Heavy Atoms | 49 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 57227-30-2 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O |
| InChIKey | HMNZCWTVMGEBHG-UHFFFAOYSA-N |
Product Overview
RefChem:1078578 (CAS 57227-30-2), with molecular formula C38H50N4O7 and molecular weight 674.37 g/mol. IUPAC: N-[3-[4-[3-(4-benzylpiperazin-1-yl)propoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid.
Chemical Property Profile of RefChem:1078578
Property Insights of RefChem:1078578
The XLogP value of 4.42 indicates that RefChem:1078578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:1078578 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1078578 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1078578?
The CAS number of RefChem:1078578 is 57227-30-2.
What is the molecular formula of RefChem:1078578?
The molecular formula of RefChem:1078578 is C38H50N4O7.
What is the molecular weight of RefChem:1078578?
The molecular weight of RefChem:1078578 is 674.37 g/mol.
Where can I buy RefChem:1078578?
You can request a quote for RefChem:1078578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078578?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.