SQ-NHS
TL;DR: SQ-NHS (CAS 154161-81-6) is a chemical compound with molecular formula C34H32ClN3O6 and molecular weight 613.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate
Also Known As: SQ-NHS, SQ-NHS*, 4-[(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate, SQUARAIN-CARBOXYLATE N-SUCCINIMIDYL ESTER, 4-[(5-Chloro-1,3,3-trimethyl-3H-indol-1-ium-2-yl)methylidene]-2-[(5-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}-1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-3-oxocyclobut-1-en-1-olate
| Molecular Formula | C34H32ClN3O6 |
|---|---|
| Molecular Weight | 613.20 g/mol |
| LogP | 4.3919 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 613.19794 |
| Heavy Atoms | 44 |
| Complexity | 1828.4327 |
Chemical Identifiers
| CAS Number | 154161-81-6 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)ON3C(=O)CCC3=O)C(C1=CC4=C(C(=CC5=[N+](C6=C(C5(C)C)C=C(C=C6)Cl)C)C4=O)[O-])(C)C |
Product Overview
SQ-NHS (CAS 154161-81-6), with molecular formula C34H32ClN3O6 and molecular weight 613.20 g/mol. IUPAC: 4-[(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate.
Chemical Property Profile of SQ-NHS
Property Insights of SQ-NHS
The XLogP value of 4.3919 indicates that SQ-NHS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for SQ-NHS. Following Lipinski's Rule of Five, SQ-NHS has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SQ-NHS?
The CAS number of SQ-NHS is 154161-81-6.
What is the molecular formula of SQ-NHS?
The molecular formula of SQ-NHS is C34H32ClN3O6.
What is the molecular weight of SQ-NHS?
The molecular weight of SQ-NHS is 613.20 g/mol.
Where can I buy SQ-NHS?
You can request a quote for SQ-NHS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ-NHS?
Yes, KEHONG BIO provides custom synthesis services for SQ-NHS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.