RefChem:348285
TL;DR: RefChem:348285 (CAS 57227-57-3) is a chemical compound with molecular formula C30H42N4O7 and molecular weight 570.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(butylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]benzamide;oxalic acid
Also Known As: CR 702, Hydrocinnamamide, alpha-(benzoylamino)-N-butyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, oxalate, (+-)-, O-(3-(N''-Methylpiperazine)-N'-propyl)-N-benzoyl-DL-tyrosyl-n-butylamide oxalate, N-[1-(butylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]benzamide; oxalic acid, Oxalic acid--N-[1-(butylimino)-1-hydroxy-3-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}propan-2-yl]benzenecarboximidic acid (1/1)
| Molecular Formula | C30H42N4O7 |
|---|---|
| Molecular Weight | 570.31 g/mol |
| LogP | 2.12 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 570.30536 |
| Heavy Atoms | 41 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 57227-57-3 |
|---|---|
| SMILES | CCCCNC(=O)C(CC1=CC=C(C=C1)OCCCN2CCN(CC2)C)NC(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O |
| InChIKey | IRJHSXLYOQGNJZ-UHFFFAOYSA-N |
Product Overview
RefChem:348285 (CAS 57227-57-3), with molecular formula C30H42N4O7 and molecular weight 570.31 g/mol. IUPAC: N-[1-(butylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]benzamide;oxalic acid.
Chemical Property Profile of RefChem:348285
Property Insights of RefChem:348285
The XLogP value of 2.12 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:348285. The TPSA of 149.0 Ų indicates high polarity, suggesting RefChem:348285 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:348285 has 4 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:348285?
The CAS number of RefChem:348285 is 57227-57-3.
What is the molecular formula of RefChem:348285?
The molecular formula of RefChem:348285 is C30H42N4O7.
What is the molecular weight of RefChem:348285?
The molecular weight of RefChem:348285 is 570.31 g/mol.
Where can I buy RefChem:348285?
You can request a quote for RefChem:348285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348285?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.