EINECS 279-286-6
TL;DR: EINECS 279-286-6 (CAS 79817-55-3) is a chemical compound with molecular formula C21H12N2O5S3 and molecular weight 467.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: EINECS 279-286-6, 1-Amino-4-(2-benzothiazol-ylthio)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 1-amino-4- -9,10-dihydro-9,10-dioxoanthracene-2-sulphonicacid, 1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dioxoanthracene-2-sulfonic acid, 1-amino-4-benzothiazol-2-ylsulfanyl-9,10-dioxo-anthracene-2-sulfonic Acid
| Molecular Formula | C21H12N2O5S3 |
|---|---|
| Molecular Weight | 467.99 g/mol |
| LogP | 4.0518 |
| Topological Polar Surface Area | 127.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.99084 |
| Heavy Atoms | 31 |
| Complexity | 1507.1589 |
Chemical Identifiers
| CAS Number | 79817-55-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3SC4=NC5=CC=CC=C5S4)S(=O)(=O)O)N |
Product Overview
EINECS 279-286-6 (CAS 79817-55-3), with molecular formula C21H12N2O5S3 and molecular weight 467.99 g/mol. IUPAC: 1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of EINECS 279-286-6
Property Insights of EINECS 279-286-6
The XLogP value of 4.0518 indicates that EINECS 279-286-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.42 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 279-286-6. Following Lipinski's Rule of Five, EINECS 279-286-6 has 2 hydrogen bond donor(s) and 8 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 279-286-6?
The CAS number of EINECS 279-286-6 is 79817-55-3.
What is the molecular formula of EINECS 279-286-6?
The molecular formula of EINECS 279-286-6 is C21H12N2O5S3.
What is the molecular weight of EINECS 279-286-6?
The molecular weight of EINECS 279-286-6 is 467.99 g/mol.
Where can I buy EINECS 279-286-6?
You can request a quote for EINECS 279-286-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-286-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-286-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.