![4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid structure](/static/products/906/906772-02-9.png)
4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid
TL;DR: 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid (CAS 906772-02-9) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,1-dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid
Also Known As: Indocyanine Green Impurity 28, Indocyanine Green Impurity 29, 4-(1,1-dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.132 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 902.37476 |
Chemical Identifiers
| CAS Number | 906772-02-9 |
|---|---|
| SMILES | CC1(C2=C(C=CC3=CC=CC=C32)N(C1=O)CCCCS(=O)(=O)O)C |
Product Overview
4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid (CAS 906772-02-9), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: 4-(1,1-dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid.
Chemical Property Profile of 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid
Property Insights of 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid
The XLogP value of 3.132 indicates that 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid. Following Lipinski's Rule of Five, 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid 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 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid?
The CAS number of 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid is 906772-02-9.
What is the molecular formula of 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid?
The molecular formula of 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid is C18H21NO4S.
What is the molecular weight of 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid?
The molecular weight of 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid is 347.12 g/mol.
Where can I buy 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid?
You can request a quote for 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethyl-2-oxobenzo[e]indol-3-yl)butane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.