RefChem:1078577
TL;DR: RefChem:1078577 (CAS 57227-13-1) is a chemical compound with molecular formula C32H47N3O7 and molecular weight 585.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid
Also Known As: CR 624, O-(2-Diisopropylaminoethyl)-N-benzoyl-DL-tyrosyl-di-n-propylamide oxalate, Hydrocinnamamide, alpha-(benzoylamino)-4-(2-(diisopropylamino)ethoxy)-N,N-dipropyl-, oxalate, (+-)-, Benzenepropanamide, alpha-(benzoylamino)-4-(2-(bis(1-methylethyl)amino)ethoxy)-N,N-dipropyl-, ethanedioate (1:?), N-[3-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide; oxalic acid
| Molecular Formula | C32H47N3O7 |
|---|---|
| Molecular Weight | 585.34 g/mol |
| LogP | 4.33 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 585.34143 |
| Heavy Atoms | 42 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 57227-13-1 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(C(C)C)C(C)C)NC(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O |
| InChIKey | IFFRBPLLSGBECL-UHFFFAOYSA-N |
Product Overview
RefChem:1078577 (CAS 57227-13-1), with molecular formula C32H47N3O7 and molecular weight 585.34 g/mol. IUPAC: N-[3-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid.
Chemical Property Profile of RefChem:1078577
Property Insights of RefChem:1078577
The XLogP value of 4.33 indicates that RefChem:1078577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078577. Following Lipinski's Rule of Five, RefChem:1078577 has 3 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:1078577?
The CAS number of RefChem:1078577 is 57227-13-1.
What is the molecular formula of RefChem:1078577?
The molecular formula of RefChem:1078577 is C32H47N3O7.
What is the molecular weight of RefChem:1078577?
The molecular weight of RefChem:1078577 is 585.34 g/mol.
Where can I buy RefChem:1078577?
You can request a quote for RefChem:1078577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078577?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.