RefChem:907193
TL;DR: RefChem:907193 (CAS 77862-93-2) is a chemical compound with molecular formula C30H38F2N2O7S2 and molecular weight 640.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine;methanesulfonic acid
Also Known As: 1-(2-(di-(4-Fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine dimethanesulfonate, 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine;methanesulfonic acid, 1-(2-(BIS-(4-FLUOROPHENYL)METHOXY)ETHYL)-4-(3-PHENYL-2-PROPENYL)PIPERAZINE DIHYDROCHLORIDE, GBR 13069 dihydrochloride,(1-(2-(Bis-(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazinedihydrochloride, Methanesulfonic acid--1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-phenylprop-2-en-1-yl)piperazine (2/1)
| Molecular Formula | C30H38F2N2O7S2 |
|---|---|
| Molecular Weight | 640.21 g/mol |
| LogP | 4.4098 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 640.20886 |
| Heavy Atoms | 43 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 77862-93-2 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC=CC4=CC=CC=C4 |
| InChIKey | GETNYSZHXJZOLF-UHFFFAOYSA-N |
Product Overview
RefChem:907193 (CAS 77862-93-2), with molecular formula C30H38F2N2O7S2 and molecular weight 640.21 g/mol. IUPAC: 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine;methanesulfonic acid.
Chemical Property Profile of RefChem:907193
Property Insights of RefChem:907193
The XLogP value of 4.4098 indicates that RefChem:907193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting RefChem:907193 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:907193 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:907193?
The CAS number of RefChem:907193 is 77862-93-2.
What is the molecular formula of RefChem:907193?
The molecular formula of RefChem:907193 is C30H38F2N2O7S2.
What is the molecular weight of RefChem:907193?
The molecular weight of RefChem:907193 is 640.21 g/mol.
Where can I buy RefChem:907193?
You can request a quote for RefChem:907193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:907193?
Yes, KEHONG BIO provides custom synthesis services for RefChem:907193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.