RefChem:348294
TL;DR: RefChem:348294 (CAS 57227-86-8) is a chemical compound with molecular formula C30H41N3O7 and molecular weight 555.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(butylamino)-1-oxo-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-yl]-4-methylbenzamide;oxalic acid
Also Known As: CR 797, O-(3-Pyrrolidyl-N'-propyl)-N-toluoyl-DL-tyrosyl-n-butylamide oxalate, Hydrocinnamamide, N-butyl-4-(3-(1-pyrrolidinyl)propoxy)-alpha-(p-toluoylamino)-, oxalate, (+-)-, N-[1-(butylamino)-1-oxo-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-yl]-4-methylbenzamide; oxalic acid, Oxalic acid--N-butyl-2-(4-methylbenzamido)-3-{4-[3-(pyrrolidin-1-yl)propoxy]phenyl}propanimidic acid (1/1)
| Molecular Formula | C30H41N3O7 |
|---|---|
| Molecular Weight | 555.29 g/mol |
| LogP | 3.27 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 555.29443 |
| Heavy Atoms | 40 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 57227-86-8 |
|---|---|
| SMILES | CCCCNC(=O)C(CC1=CC=C(C=C1)OCCCN2CCCC2)NC(=O)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O |
| InChIKey | FMPYGGYICIOYRY-UHFFFAOYSA-N |
Product Overview
RefChem:348294 (CAS 57227-86-8), with molecular formula C30H41N3O7 and molecular weight 555.29 g/mol. IUPAC: N-[1-(butylamino)-1-oxo-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-yl]-4-methylbenzamide;oxalic acid.
Chemical Property Profile of RefChem:348294
Property Insights of RefChem:348294
The XLogP value of 3.27 indicates that RefChem:348294 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:348294 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:348294 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:348294?
The CAS number of RefChem:348294 is 57227-86-8.
What is the molecular formula of RefChem:348294?
The molecular formula of RefChem:348294 is C30H41N3O7.
What is the molecular weight of RefChem:348294?
The molecular weight of RefChem:348294 is 555.29 g/mol.
Where can I buy RefChem:348294?
You can request a quote for RefChem:348294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348294?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.