Hemicholinium mustard
TL;DR: Hemicholinium mustard (CAS 83291-91-2) is a chemical compound with molecular formula C24H30Br2N2O4 and molecular weight 568.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoethyl)-2-[4-[4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl]phenyl]morpholin-2-ol
Also Known As: hemicholinium mustard, 2-Morpholinol, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[4-(2-bromoethyl)-, 2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis[4-(2-bromoethyl)morpholin-2-ol], 4-(2-bromoethyl)-2-[4-[4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl]phenyl]morpholin-2-ol, 2,2 -(1,1 -Biphenyl-4,4 -diyl)bis[4-(2-bromoethyl)morpholin-2-ol]
| Molecular Formula | C24H30Br2N2O4 |
|---|---|
| Molecular Weight | 568.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 568.05725 |
| Heavy Atoms | 32 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 83291-91-2 |
|---|---|
| SMILES | C1COC(CN1CCBr)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CN(CCO4)CCBr)O)O |
| InChIKey | DEHLWSSPVQFNBM-UHFFFAOYSA-N |
Product Overview
Hemicholinium mustard (CAS 83291-91-2), with molecular formula C24H30Br2N2O4 and molecular weight 568.06 g/mol. IUPAC: 4-(2-bromoethyl)-2-[4-[4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl]phenyl]morpholin-2-ol.
Chemical Property Profile of Hemicholinium mustard
Property Insights of Hemicholinium mustard
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hemicholinium mustard. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hemicholinium mustard. Following Lipinski's Rule of Five, Hemicholinium mustard has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hemicholinium mustard?
The CAS number of Hemicholinium mustard is 83291-91-2.
What is the molecular formula of Hemicholinium mustard?
The molecular formula of Hemicholinium mustard is C24H30Br2N2O4.
What is the molecular weight of Hemicholinium mustard?
The molecular weight of Hemicholinium mustard is 568.06 g/mol.
Where can I buy Hemicholinium mustard?
You can request a quote for Hemicholinium mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemicholinium mustard?
Yes, KEHONG BIO provides custom synthesis services for Hemicholinium mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.