EINECS 247-379-0
TL;DR: EINECS 247-379-0 (CAS 25965-91-7) is a chemical compound with molecular formula C32H25ClN6O12S3 and molecular weight 816.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[3-[[4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 1-Amino-4-((3-((4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, 1-amino-4-[(3-{[4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino}-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-Amino-4-(3-((4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonicacid, 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, 1-AMINO-4-((3-((4-CHLORO-6-(4-SULFOPHENOXY)-1,3,5-TRIAZIN-2-YL)AMINO)-2,4,6-TRIMETHYL-5-SULFOPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULFONIC ACID
| Molecular Formula | C32H25ClN6O12S3 |
|---|---|
| Molecular Weight | 816.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 320.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 816.0381 |
| Heavy Atoms | 54 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 25965-91-7 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)Cl)OC3=CC=C(C=C3)S(=O)(=O)O)C)S(=O)(=O)O)C)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O |
| InChIKey | QECGUTSSKABWFV-UHFFFAOYSA-N |
Product Overview
EINECS 247-379-0 (CAS 25965-91-7), with molecular formula C32H25ClN6O12S3 and molecular weight 816.04 g/mol. IUPAC: 1-amino-4-[3-[[4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of EINECS 247-379-0
Property Insights of EINECS 247-379-0
The XLogP value of 4.4 indicates that EINECS 247-379-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 320.0 Ų indicates high polarity, suggesting EINECS 247-379-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 247-379-0 has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 247-379-0?
The CAS number of EINECS 247-379-0 is 25965-91-7.
What is the molecular formula of EINECS 247-379-0?
The molecular formula of EINECS 247-379-0 is C32H25ClN6O12S3.
What is the molecular weight of EINECS 247-379-0?
The molecular weight of EINECS 247-379-0 is 816.04 g/mol.
Where can I buy EINECS 247-379-0?
You can request a quote for EINECS 247-379-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 247-379-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 247-379-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.