EINECS 225-457-5
TL;DR: EINECS 225-457-5 (CAS 4857-56-1) is a chemical compound with molecular formula C16H14ClN3Na2O6S and molecular weight 457.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[(5-chloro-2-methoxyanilino)-(ethenylamino)amino]-5-sulfonatobenzoate
Also Known As: EINECS 225-457-5, sodium tetrakis(pentafluorophenyl)borate, Disodium 2-(3-(5-chloro-2-methoxyphenyl)-1-ethyltriazen-2-yl)-5-sulphonatobenzoate, disodium 2-[(5-chloro-2-methoxyanilino)-(ethenylamino)amino]-5-sulfonatobenzoate, DISODIUM 2-[1-(5-CHLORO-2-METHOXYPHENYL)-3-ETHENYLTRIAZAN-2-YL]-5-SULFONATOBENZOATE
| Molecular Formula | C16H14ClN3Na2O6S |
|---|---|
| Molecular Weight | 457.01 g/mol |
| LogP | -4.8942 |
| Topological Polar Surface Area | 133.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.00873 |
| Heavy Atoms | 29 |
| Complexity | 990.61554 |
Chemical Identifiers
| CAS Number | 4857-56-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NN(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)[O-])NC=C.[Na+].[Na+] |
Product Overview
EINECS 225-457-5 (CAS 4857-56-1), with molecular formula C16H14ClN3Na2O6S and molecular weight 457.01 g/mol. IUPAC: disodium;2-[(5-chloro-2-methoxyanilino)-(ethenylamino)amino]-5-sulfonatobenzoate.
Chemical Property Profile of EINECS 225-457-5
Property Insights of EINECS 225-457-5
The XLogP value of -4.8942 indicates that EINECS 225-457-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.86 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 225-457-5. Following Lipinski's Rule of Five, EINECS 225-457-5 has 2 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 225-457-5?
The CAS number of EINECS 225-457-5 is 4857-56-1.
What is the molecular formula of EINECS 225-457-5?
The molecular formula of EINECS 225-457-5 is C16H14ClN3Na2O6S.
What is the molecular weight of EINECS 225-457-5?
The molecular weight of EINECS 225-457-5 is 457.01 g/mol.
Where can I buy EINECS 225-457-5?
You can request a quote for EINECS 225-457-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 225-457-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 225-457-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.