Pyrextramine
TL;DR: Pyrextramine (CAS 92588-09-5) is a chemical compound with molecular formula C26H48N6S2 and molecular weight 508.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1H-pyrrol-2-ylmethyl)-N-[2-[2-[6-(1H-pyrrol-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine
Also Known As: Pyrextramine, N,N''-(Dithio-2,1-ethanediyl)bis(N'-(pyrrol-2-ylmethyl)-1,6-hexanediamine), N'-(1H-pyrrol-2-ylmethyl)-N-[2-[2-[6-(1H-pyrrol-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine, N'-(1H-pyrrol-2-ylmethyl)-N-[2-[2-[6-(1H-pyrrol-2-ylmethylam, 1,6-Hexanediamine, N,N''-(dithiodi-2,1-ethanediyl)bis(N'-(1H-pyrrol-2-ylmethyl)-
| Molecular Formula | C26H48N6S2 |
|---|---|
| Molecular Weight | 508.34 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Exact Mass | 508.3382 |
| Heavy Atoms | 34 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 92588-09-5 |
|---|---|
| SMILES | C1=CNC(=C1)CNCCCCCCNCCSSCCNCCCCCCNCC2=CC=CN2 |
| InChIKey | SOBOYIJMKCWCMZ-UHFFFAOYSA-N |
Product Overview
Pyrextramine (CAS 92588-09-5), with molecular formula C26H48N6S2 and molecular weight 508.34 g/mol. IUPAC: N'-(1H-pyrrol-2-ylmethyl)-N-[2-[2-[6-(1H-pyrrol-2-ylmethylamino)hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine.
Chemical Property Profile of Pyrextramine
Property Insights of Pyrextramine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrextramine. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrextramine. Following Lipinski's Rule of Five, Pyrextramine has 6 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 Pyrextramine?
The CAS number of Pyrextramine is 92588-09-5.
What is the molecular formula of Pyrextramine?
The molecular formula of Pyrextramine is C26H48N6S2.
What is the molecular weight of Pyrextramine?
The molecular weight of Pyrextramine is 508.34 g/mol.
Where can I buy Pyrextramine?
You can request a quote for Pyrextramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrextramine?
Yes, KEHONG BIO provides custom synthesis services for Pyrextramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.