Citorellamine
TL;DR: Citorellamine (CAS 112663-94-2) is a chemical compound with molecular formula C22H24Br2N4S2 and molecular weight 565.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-bromo-1H-indol-3-yl)methyl]-2-[2-[(6-bromo-1H-indol-3-yl)methylamino]ethyldisulfanyl]ethanamine
Also Known As: Citorellamine, 1,6-Naphthyridin-5(1H)-one,1-methyl-7-phenyl, N-[(6-bromo-1H-indol-3-yl)methyl]-2-[2-[(6-bromo-1H-indol-3-yl)methylamino]ethyldisulfanyl]ethanamine, 1H-Indole-3-methanamine, N,N'-(dithiodi-2,1-ethanediyl)bis(6-bromo-, 2,2'-disulfanediylbis{n-[(6-bromo-1h-indol-3-yl)methyl]ethanamine}
| Molecular Formula | C22H24Br2N4S2 |
|---|---|
| Molecular Weight | 565.98 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 565.9809 |
| Heavy Atoms | 30 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 112663-94-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)NC=C2CNCCSSCCNCC3=CNC4=C3C=CC(=C4)Br |
| InChIKey | NXYBLHZYBABGFH-UHFFFAOYSA-N |
Product Overview
Citorellamine (CAS 112663-94-2), with molecular formula C22H24Br2N4S2 and molecular weight 565.98 g/mol. IUPAC: N-[(6-bromo-1H-indol-3-yl)methyl]-2-[2-[(6-bromo-1H-indol-3-yl)methylamino]ethyldisulfanyl]ethanamine.
Chemical Property Profile of Citorellamine
Property Insights of Citorellamine
The XLogP value of 4.7 indicates that Citorellamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Citorellamine. Following Lipinski's Rule of Five, Citorellamine has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Citorellamine?
The CAS number of Citorellamine is 112663-94-2.
What is the molecular formula of Citorellamine?
The molecular formula of Citorellamine is C22H24Br2N4S2.
What is the molecular weight of Citorellamine?
The molecular weight of Citorellamine is 565.98 g/mol.
Where can I buy Citorellamine?
You can request a quote for Citorellamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citorellamine?
Yes, KEHONG BIO provides custom synthesis services for Citorellamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.