ersentilide hydrochloride, (+-)-isomer
TL;DR: ersentilide hydrochloride, (+-)-isomer (CAS 125228-72-0) is a chemical compound with molecular formula C21H27ClN4O5S and molecular weight 482.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2-hydroxy-3-[2-(4-imidazol-1-ylphenoxy)ethylamino]propoxy]phenyl]methanesulfonamide;hydrochloride
Also Known As: ersentilide hydrochloride, (+-)-isomer, Methanesulfonamide, N-(4-(2-hydroxy-3-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)amino)propoxy)phenyl)-, monohydrochloride, (+-)-, N-[4-[2-hydroxy-3-[2-(4-imidazol-1-ylphenoxy)ethylamino]propoxy]phenyl]methanesulfonamide hydrochloride, N-[4-[2-Hydroxy-3-[2-(4-imidazol-1-ylphenoxy)ethylamino]propoxy]phenyl]methanesulfonamide;hydrochloride, N-{4-[2-Hydroxy-3-({2-[4-(1H-imidazol-1-yl)phenoxy]ethyl}amino)propoxy]phenyl}methanesulfonamide hydrochloride
| Molecular Formula | C21H27ClN4O5S |
|---|---|
| Molecular Weight | 482.14 g/mol |
| LogP | 2.0739 |
| Topological Polar Surface Area | 114.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 482.13907 |
| Heavy Atoms | 32 |
| Complexity | 1029.0667 |
Chemical Identifiers
| CAS Number | 125228-72-0 |
|---|---|
| SMILES | CS(=O)(=O)NC1=CC=C(C=C1)OCC(CNCCOC2=CC=C(C=C2)N3C=CN=C3)O.Cl |
Product Overview
ersentilide hydrochloride, (+-)-isomer (CAS 125228-72-0), with molecular formula C21H27ClN4O5S and molecular weight 482.14 g/mol. IUPAC: N-[4-[2-hydroxy-3-[2-(4-imidazol-1-ylphenoxy)ethylamino]propoxy]phenyl]methanesulfonamide;hydrochloride.
Chemical Property Profile of ersentilide hydrochloride, (+-)-isomer
Property Insights of ersentilide hydrochloride, (+-)-isomer
The XLogP value of 2.0739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ersentilide hydrochloride, (+-)-isomer. The TPSA of 114.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ersentilide hydrochloride, (+-)-isomer. Following Lipinski's Rule of Five, ersentilide hydrochloride, (+-)-isomer has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ersentilide hydrochloride, (+-)-isomer?
The CAS number of ersentilide hydrochloride, (+-)-isomer is 125228-72-0.
What is the molecular formula of ersentilide hydrochloride, (+-)-isomer?
The molecular formula of ersentilide hydrochloride, (+-)-isomer is C21H27ClN4O5S.
What is the molecular weight of ersentilide hydrochloride, (+-)-isomer?
The molecular weight of ersentilide hydrochloride, (+-)-isomer is 482.14 g/mol.
Where can I buy ersentilide hydrochloride, (+-)-isomer?
You can request a quote for ersentilide hydrochloride, (+-)-isomer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ersentilide hydrochloride, (+-)-isomer?
Yes, KEHONG BIO provides custom synthesis services for ersentilide hydrochloride, (+-)-isomer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.