RefChem:348299
TL;DR: RefChem:348299 (CAS 57227-90-4) is a chemical compound with molecular formula C29H41N3O3 and molecular weight 479.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(hexylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
Also Known As: CR 826, O-(2-Pyrrolidyl-N'-ethyl)-N-toluoyl-DL-tyrosyl-n-hexylamide, (+-)-N-Hexyl-4-(2-(1-pyrrolidinyl)ethoxy)-alpha-(p-toluoylamino)hydrocinnamamide, Hydrocinnamamide, N-hexyl-4-(2-(1-pyrrolidinyl)ethoxy)-alpha-(p-toluoylamino)-, (+-)-, N-Hexyl-2-(4-methylbenzamido)-3-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}propanimidic acid
| Molecular Formula | C29H41N3O3 |
|---|---|
| Molecular Weight | 479.31 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 479.3148 |
| Heavy Atoms | 35 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 57227-90-4 |
|---|---|
| SMILES | CCCCCCNC(=O)C(CC1=CC=C(C=C1)OCCN2CCCC2)NC(=O)C3=CC=C(C=C3)C |
| InChIKey | CUSBWBKXZPGKAS-UHFFFAOYSA-N |
Product Overview
RefChem:348299 (CAS 57227-90-4), with molecular formula C29H41N3O3 and molecular weight 479.31 g/mol. IUPAC: N-[1-(hexylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-methylbenzamide.
Chemical Property Profile of RefChem:348299
Property Insights of RefChem:348299
The XLogP value of 5.7 indicates that RefChem:348299 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:348299. Following Lipinski's Rule of Five, RefChem:348299 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:348299?
The CAS number of RefChem:348299 is 57227-90-4.
What is the molecular formula of RefChem:348299?
The molecular formula of RefChem:348299 is C29H41N3O3.
What is the molecular weight of RefChem:348299?
The molecular weight of RefChem:348299 is 479.31 g/mol.
Where can I buy RefChem:348299?
You can request a quote for RefChem:348299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348299?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.