Hemicholinium 15-bromo mustard
TL;DR: Hemicholinium 15-bromo mustard (CAS 88598-77-0) is a chemical compound with molecular formula C12H16BrNO2 and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoethyl)-2-phenylmorpholin-2-ol
Also Known As: HC15-Brm, Hemicholinium 15-bromo mustard, 4-(2-bromoethyl)-2-phenylmorpholin-2-ol, 2-Morpholinol, 4-(2-bromoethyl)-2-phenyl-, 2-phenyl-2-hydroxy-4-(2-bromoethyl)morpholine
| Molecular Formula | C12H16BrNO2 |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.03644 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 88598-77-0 |
|---|---|
| SMILES | C1COC(CN1CCBr)(C2=CC=CC=C2)O |
| InChIKey | QDHKKJHKELFBLQ-UHFFFAOYSA-N |
Product Overview
Hemicholinium 15-bromo mustard (CAS 88598-77-0), with molecular formula C12H16BrNO2 and molecular weight 285.04 g/mol. IUPAC: 4-(2-bromoethyl)-2-phenylmorpholin-2-ol.
Chemical Property Profile of Hemicholinium 15-bromo mustard
Property Insights of Hemicholinium 15-bromo mustard
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hemicholinium 15-bromo mustard. With a topological polar surface area (TPSA) of 32.7 Ų, Hemicholinium 15-bromo mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hemicholinium 15-bromo mustard has 1 hydrogen bond donor(s) and 3 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 Hemicholinium 15-bromo mustard?
The CAS number of Hemicholinium 15-bromo mustard is 88598-77-0.
What is the molecular formula of Hemicholinium 15-bromo mustard?
The molecular formula of Hemicholinium 15-bromo mustard is C12H16BrNO2.
What is the molecular weight of Hemicholinium 15-bromo mustard?
The molecular weight of Hemicholinium 15-bromo mustard is 285.04 g/mol.
Where can I buy Hemicholinium 15-bromo mustard?
You can request a quote for Hemicholinium 15-bromo mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemicholinium 15-bromo mustard?
Yes, KEHONG BIO provides custom synthesis services for Hemicholinium 15-bromo mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.