EINECS 298-418-3
TL;DR: EINECS 298-418-3 (CAS 93804-43-4) is a chemical compound with molecular formula C20H16BrN5O8S2 and molecular weight 596.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-(2-bromoprop-2-enoylamino)-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid
Also Known As: EINECS 298-418-3, 7-((2-((Aminocarbonyl)amino)-4-((2-bromo-1-oxoallyl)amino)phenyl)azo)naphthalene-1,3-disulphonic acid, 7-[[2-[(AMINOCARBONYL)AMINO]-4-[(2-BROMO-1-OXOALLYL)AMINO]PHENYL]AZO]NAPHTHALENE-1,3-DISULFONIC ACID, 7-[[4-(2-bromoprop-2-enoylamino)-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid, 7-[[2-[(Aminocarbonyl)amino]-4-[(2-bromo-1-oxo-2-propenyl)amino]phenyl]azo]-1,3-naphthalenedisulfonic acid
| Molecular Formula | C20H16BrN5O8S2 |
|---|---|
| Molecular Weight | 596.96 g/mol |
| LogP | 4.0863 |
| Topological Polar Surface Area | 217.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 596.96234 |
| Heavy Atoms | 36 |
| Complexity | 1670.854 |
Chemical Identifiers
| CAS Number | 93804-43-4 |
|---|---|
| SMILES | C=C(C(=O)NC1=CC(=C(C=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Br |
Product Overview
EINECS 298-418-3 (CAS 93804-43-4), with molecular formula C20H16BrN5O8S2 and molecular weight 596.96 g/mol. IUPAC: 7-[[4-(2-bromoprop-2-enoylamino)-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid.
Chemical Property Profile of EINECS 298-418-3
Property Insights of EINECS 298-418-3
The XLogP value of 4.0863 indicates that EINECS 298-418-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.68 Ų indicates high polarity, suggesting EINECS 298-418-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 298-418-3 has 5 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 298-418-3?
The CAS number of EINECS 298-418-3 is 93804-43-4.
What is the molecular formula of EINECS 298-418-3?
The molecular formula of EINECS 298-418-3 is C20H16BrN5O8S2.
What is the molecular weight of EINECS 298-418-3?
The molecular weight of EINECS 298-418-3 is 596.96 g/mol.
Where can I buy EINECS 298-418-3?
You can request a quote for EINECS 298-418-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 298-418-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 298-418-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.