RefChem:348293
TL;DR: RefChem:348293 (CAS 57227-84-6) is a chemical compound with molecular formula C29H39N3O7 and molecular weight 541.28 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-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide;oxalic acid
Also Known As: CR 651, O-(2-Pyrrolidyl-N'-ethyl)-N-toluoyl-DL-tyrosyl-n-butylamide oxalate, Hydrocinnamamide, N-butyl-4-(2-(1-pyrrolidinyl)ethoxy)-alpha-(p-toluoylamino)-, oxalate, (+-)-, N-[1-(butylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide; oxalic acid, Oxalic acid--N-butyl-2-(4-methylbenzamido)-3-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}propanimidic acid (1/1)
| Molecular Formula | C29H39N3O7 |
|---|---|
| Molecular Weight | 541.28 g/mol |
| LogP | 2.88 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 541.2788 |
| Heavy Atoms | 39 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 57227-84-6 |
|---|---|
| SMILES | CCCCNC(=O)C(CC1=CC=C(C=C1)OCCN2CCCC2)NC(=O)C3=CC=C(C=C3)C.C(=O)(C(=O)O)O |
| InChIKey | IXBFJLBFDMECAS-UHFFFAOYSA-N |
Product Overview
RefChem:348293 (CAS 57227-84-6), with molecular formula C29H39N3O7 and molecular weight 541.28 g/mol. IUPAC: N-[1-(butylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide;oxalic acid.
Chemical Property Profile of RefChem:348293
Property Insights of RefChem:348293
The XLogP value of 2.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:348293. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:348293 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:348293 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:348293?
The CAS number of RefChem:348293 is 57227-84-6.
What is the molecular formula of RefChem:348293?
The molecular formula of RefChem:348293 is C29H39N3O7.
What is the molecular weight of RefChem:348293?
The molecular weight of RefChem:348293 is 541.28 g/mol.
Where can I buy RefChem:348293?
You can request a quote for RefChem:348293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348293?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.