EINECS 276-916-1
TL;DR: EINECS 276-916-1 (CAS 72829-29-9) is a chemical compound with molecular formula C24H20N4O7S2 and molecular weight 540.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonic acid
Also Known As: EINECS 276-916-1, Benzenesulfonic acid, 5-((2-nitro-4-((phenylamino)sulfonyl)phenyl)amino)-2-(phenylamino)-, 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonic acid, Benzenesulfonic acid, 2-(phenylamino)-5-((2-nitro-4-((phenylamino)sulfonyl)phenyl)amino)-, Benzenesulfonic acid, 5-[[2-nitro-4-[(phenylamino)sulfonyl]phenyl]amino]-2-(phenylamino)-
| Molecular Formula | C24H20N4O7S2 |
|---|---|
| Molecular Weight | 540.08 g/mol |
| LogP | 5.1295 |
| Topological Polar Surface Area | 167.74 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 540.07733 |
| Heavy Atoms | 37 |
| Complexity | 1662.354 |
Chemical Identifiers
| CAS Number | 72829-29-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-])S(=O)(=O)O |
Product Overview
EINECS 276-916-1 (CAS 72829-29-9), with molecular formula C24H20N4O7S2 and molecular weight 540.08 g/mol. IUPAC: 2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonic acid.
Chemical Property Profile of EINECS 276-916-1
Property Insights of EINECS 276-916-1
The XLogP value of 5.1295 indicates that EINECS 276-916-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.74 Ų indicates high polarity, suggesting EINECS 276-916-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 276-916-1 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 276-916-1?
The CAS number of EINECS 276-916-1 is 72829-29-9.
What is the molecular formula of EINECS 276-916-1?
The molecular formula of EINECS 276-916-1 is C24H20N4O7S2.
What is the molecular weight of EINECS 276-916-1?
The molecular weight of EINECS 276-916-1 is 540.08 g/mol.
Where can I buy EINECS 276-916-1?
You can request a quote for EINECS 276-916-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 276-916-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 276-916-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.