EINECS 290-690-1
TL;DR: EINECS 290-690-1 (CAS 90218-17-0) is a chemical compound with molecular formula C18H19N3O7S and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aminobenzenesulfonic acid;benzene-1,3-diol;4-nitroaniline
Also Known As: Benzenesulfonic acid, 4-amino-, diazotized, coupled with diazotized 4-nitrobenzenamine and resorcinol, 4-aminobenzenesulfonic acid; benzene-1,3-diol; 4-nitroaniline, 4-aminobenzenesulfonic acid,benzene-1,3-diol,4-nitroaniline, 290-690-1, EINECS 290-690-1
| Molecular Formula | C18H19N3O7S |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 2.7903 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 421.09436 |
| Heavy Atoms | 29 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 90218-17-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)O.C1=CC(=CC=C1N)[N+](=O)[O-].C1=CC(=CC=C1N)S(=O)(=O)O |
| InChIKey | GDXBBHIEKDPDRU-UHFFFAOYSA-N |
Product Overview
EINECS 290-690-1 (CAS 90218-17-0), with molecular formula C18H19N3O7S and molecular weight 421.09 g/mol. IUPAC: 4-aminobenzenesulfonic acid;benzene-1,3-diol;4-nitroaniline.
Chemical Property Profile of EINECS 290-690-1
Property Insights of EINECS 290-690-1
The XLogP value of 2.7903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 290-690-1. The TPSA of 201.0 Ų indicates high polarity, suggesting EINECS 290-690-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 290-690-1 has 5 hydrogen bond donor(s) and 9 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 EINECS 290-690-1?
The CAS number of EINECS 290-690-1 is 90218-17-0.
What is the molecular formula of EINECS 290-690-1?
The molecular formula of EINECS 290-690-1 is C18H19N3O7S.
What is the molecular weight of EINECS 290-690-1?
The molecular weight of EINECS 290-690-1 is 421.09 g/mol.
Where can I buy EINECS 290-690-1?
You can request a quote for EINECS 290-690-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 290-690-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 290-690-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.