KST-1B2718
TL;DR: KST-1B2718 (CAS 2872-90-4) is a chemical compound with molecular formula C28H22Br2N2O6 and molecular weight 639.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-[4-[2-(3-carboxypyridin-1-ium-1-yl)acetyl]phenyl]phenyl]-2-oxoethyl]pyridin-1-ium-3-carboxylic acid dibromide
Also Known As: KST-1B2718, 1,1'-(4,4'-Biphenylenebis(carbonylmethylene))bis(3-carboxypyridinium bromide), Pyridinium, 1,1'-(4,4'-biphenylenebis(carbonylmethylene))bis(3-carboxy-, dibromide, 1,1'-[biphenyl-4,4'-diylbis(2-oxoethane-2,1-diyl)]bis(3-carboxypyridinium) dibromide, 1-[2-[4-[4-[2-(3-carboxypyridin-1-ium-1-yl)acetyl]phenyl]phenyl]-2-oxoethyl]pyridin-1-ium-3-carboxylic acid dibromide
| Molecular Formula | C28H22Br2N2O6 |
|---|---|
| Molecular Weight | 639.98 g/mol |
| LogP | -2.9012 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 639.98444 |
| Heavy Atoms | 38 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 2872-90-4 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4=CC=CC(=C4)C(=O)O)C(=O)O.[Br-].[Br-] |
| InChIKey | NBRYYKUIDYUDAX-UHFFFAOYSA-N |
Product Overview
KST-1B2718 (CAS 2872-90-4), with molecular formula C28H22Br2N2O6 and molecular weight 639.98 g/mol. IUPAC: 1-[2-[4-[4-[2-(3-carboxypyridin-1-ium-1-yl)acetyl]phenyl]phenyl]-2-oxoethyl]pyridin-1-ium-3-carboxylic acid dibromide.
Chemical Property Profile of KST-1B2718
Property Insights of KST-1B2718
The XLogP value of -2.9012 indicates that KST-1B2718 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B2718. Following Lipinski's Rule of Five, KST-1B2718 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B2718?
The CAS number of KST-1B2718 is 2872-90-4.
What is the molecular formula of KST-1B2718?
The molecular formula of KST-1B2718 is C28H22Br2N2O6.
What is the molecular weight of KST-1B2718?
The molecular weight of KST-1B2718 is 639.98 g/mol.
Where can I buy KST-1B2718?
You can request a quote for KST-1B2718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B2718?
Yes, KEHONG BIO provides custom synthesis services for KST-1B2718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.