RefChem:331750
TL;DR: RefChem:331750 (CAS 57228-55-4) is a chemical compound with molecular formula C27H38N4O6 and molecular weight 514.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N-[(2S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]carbamate
Also Known As: CR 613, O-(2-Dimethylaminoethyl)-N-(p-nitrocarbobenzoxy)-L-tyrosyl-di-n-propylamide, Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-,(p-nitrobenzyl) ester, (S)-, (4-nitrophenyl)methyl N-[(1S)-2-{4-[2-(dimethylamino)ethoxy]phenyl}-1-(dipropylcarbamoyl)ethyl]carbamate, (4-nitrophenyl)methyl n-[(2s)-3-[4-(2-dimethylaminoethoxy)phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]carbamate
| Molecular Formula | C27H38N4O6 |
|---|---|
| Molecular Weight | 514.28 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 514.2791 |
| Heavy Atoms | 37 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 57228-55-4 |
|---|---|
| SMILES | CCCN(CCC)C(=O)[C@H](CC1=CC=C(C=C1)OCCN(C)C)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | UVALSMROOIDTHM-VWLOTQADSA-N |
Product Overview
RefChem:331750 (CAS 57228-55-4), with molecular formula C27H38N4O6 and molecular weight 514.28 g/mol. IUPAC: (4-nitrophenyl)methyl N-[(2S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of RefChem:331750
Property Insights of RefChem:331750
The XLogP value of 4.6 indicates that RefChem:331750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331750. Following Lipinski's Rule of Five, RefChem:331750 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:331750?
The CAS number of RefChem:331750 is 57228-55-4.
What is the molecular formula of RefChem:331750?
The molecular formula of RefChem:331750 is C27H38N4O6.
What is the molecular weight of RefChem:331750?
The molecular weight of RefChem:331750 is 514.28 g/mol.
Where can I buy RefChem:331750?
You can request a quote for RefChem:331750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331750?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.