EINECS 300-464-7
TL;DR: EINECS 300-464-7 (CAS 93940-66-0) is a chemical compound with molecular formula C18H18BrN5O7S and molecular weight 527.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoprop-2-enoylamino)-2-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]benzenesulfonic acid
Also Known As: EINECS 300-464-7, 4-((2-Bromoacryloyl)amino)-2-((5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo)benzenesulphonic acid, 2-[[[5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin]-3-yl]azo]-4-[(2-bromo-1-oxo-2-propenyl)amino]benzenesulfonic acid, 2-[2-[5-(Aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-4-[(2-bromo-1-oxo-2-propen-1-yl)amino]benzenesulfonic acid, 4-(2-bromoprop-2-enamido)-2-[2-(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazen-1-yl]benzene-1-sulfonic acid
| Molecular Formula | C18H18BrN5O7S |
|---|---|
| Molecular Weight | 527.01 g/mol |
| LogP | 2.49032 |
| Topological Polar Surface Area | 193.51 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.01105 |
| Heavy Atoms | 32 |
| Complexity | 1332.2045 |
Chemical Identifiers
| CAS Number | 93940-66-0 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC(=O)C(=C)Br)S(=O)(=O)O)C)C(=O)N)O |
Product Overview
EINECS 300-464-7 (CAS 93940-66-0), with molecular formula C18H18BrN5O7S and molecular weight 527.01 g/mol. IUPAC: 4-(2-bromoprop-2-enoylamino)-2-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]benzenesulfonic acid.
Chemical Property Profile of EINECS 300-464-7
Property Insights of EINECS 300-464-7
The XLogP value of 2.49032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 300-464-7. The TPSA of 193.51 Ų indicates high polarity, suggesting EINECS 300-464-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 300-464-7 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 300-464-7?
The CAS number of EINECS 300-464-7 is 93940-66-0.
What is the molecular formula of EINECS 300-464-7?
The molecular formula of EINECS 300-464-7 is C18H18BrN5O7S.
What is the molecular weight of EINECS 300-464-7?
The molecular weight of EINECS 300-464-7 is 527.01 g/mol.
Where can I buy EINECS 300-464-7?
You can request a quote for EINECS 300-464-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 300-464-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 300-464-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.