EINECS 303-342-1
TL;DR: EINECS 303-342-1 (CAS 94166-47-9) is a chemical compound with molecular formula C48H63N5O10S2 and molecular weight 933.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-benzamido-2-[(2Z)-2-[(3E)-3-[(4-ethoxy-3-sulfophenyl)hydrazinylidene]icosan-2-ylidene]hydrazinyl]phenyl]sulfonyl-2-hydroxybenzoic acid
Also Known As: EINECS 303-342-1, 5-((5-(Benzoylamino)-2-((2-((4-ethoxy-3-sulphophenyl)hydrazono)-1-methylnonadecylidene)hydrazino)phenyl)sulphonyl)salicylic acid, 5-[[5-(benzoylamino)-2-[[2-[(4-ethoxy-3-sulphophenyl)hydrazono]-1-methylnonadecylidene]hydrazino]phenyl]sulphonyl]salicylic acid, 5-[5-benzamido-2-[(2Z)-2-[(3E)-3-[(4-ethoxy-3-sulfophenyl)hydrazinylidene]icosan-2-ylidene]hydrazinyl]phenyl]sulfonyl-2-hydroxybenzoic acid
| Molecular Formula | C48H63N5O10S2 |
|---|---|
| Molecular Weight | 933.40 g/mol |
| LogP | 11.3383 |
| Topological Polar Surface Area | 233.15 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 29 |
| Exact Mass | 933.4016 |
| Heavy Atoms | 65 |
| Complexity | 2476.9424 |
Chemical Identifiers
| CAS Number | 94166-47-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC/C(=N\NC1=CC(=C(C=C1)OCC)S(=O)(=O)O)/C(=N\NC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)/C |
Product Overview
EINECS 303-342-1 (CAS 94166-47-9), with molecular formula C48H63N5O10S2 and molecular weight 933.40 g/mol. IUPAC: 5-[5-benzamido-2-[(2Z)-2-[(3E)-3-[(4-ethoxy-3-sulfophenyl)hydrazinylidene]icosan-2-ylidene]hydrazinyl]phenyl]sulfonyl-2-hydroxybenzoic acid.
Chemical Property Profile of EINECS 303-342-1
Property Insights of EINECS 303-342-1
The XLogP value of 11.3383 indicates that EINECS 303-342-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 233.15 Ų indicates high polarity, suggesting EINECS 303-342-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 303-342-1 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 303-342-1?
The CAS number of EINECS 303-342-1 is 94166-47-9.
What is the molecular formula of EINECS 303-342-1?
The molecular formula of EINECS 303-342-1 is C48H63N5O10S2.
What is the molecular weight of EINECS 303-342-1?
The molecular weight of EINECS 303-342-1 is 933.40 g/mol.
Where can I buy EINECS 303-342-1?
You can request a quote for EINECS 303-342-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 303-342-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 303-342-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.