EINECS 284-812-2
TL;DR: EINECS 284-812-2 (CAS 84963-11-1) is a chemical compound with molecular formula C29H23N9O8S and molecular weight 657.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2,4-dihydroxy-5-[[4-[[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxybenzenesulfonic acid
Also Known As: EINECS 284-812-2, 3-((5-((4-(((4-((4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)amino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulphonic acid, (3Z)-3-[(Z)-[2-hydroxy-5-[[4-[[4-[2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)hydrazinyl]phenyl]carbamoyl]phenyl]diazenyl]-4-oxocyclohexa-2,5-dien-1-ylidene]hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonic acid, 3-[[5-[[4-[[[4-[(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL)AZO]PHENYL]AMINO]CARBONYL]PHENYL]AZO]-2,4-DIHYDROXYPHENYL]AZO]-4-HYDROXYBENZENESULFONIC ACID, 3-[[5-[[4-[[[4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]phenyl]amino]carbonyl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulphonic acid
| Molecular Formula | C29H23N9O8S |
|---|---|
| Molecular Weight | 657.14 g/mol |
| LogP | 6.0912 |
| Topological Polar Surface Area | 259.78 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 657.13904 |
| Heavy Atoms | 47 |
| Complexity | 2097.4087 |
Chemical Identifiers
| CAS Number | 84963-11-1 |
|---|---|
| SMILES | CC1=NNC(=O)C1N=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4O)O)N=NC5=C(C=CC(=C5)S(=O)(=O)O)O |
Product Overview
EINECS 284-812-2 (CAS 84963-11-1), with molecular formula C29H23N9O8S and molecular weight 657.14 g/mol. IUPAC: 3-[[2,4-dihydroxy-5-[[4-[[4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxybenzenesulfonic acid.
Chemical Property Profile of EINECS 284-812-2
Property Insights of EINECS 284-812-2
The XLogP value of 6.0912 indicates that EINECS 284-812-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 259.78 Ų indicates high polarity, suggesting EINECS 284-812-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 284-812-2 has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 284-812-2?
The CAS number of EINECS 284-812-2 is 84963-11-1.
What is the molecular formula of EINECS 284-812-2?
The molecular formula of EINECS 284-812-2 is C29H23N9O8S.
What is the molecular weight of EINECS 284-812-2?
The molecular weight of EINECS 284-812-2 is 657.14 g/mol.
Where can I buy EINECS 284-812-2?
You can request a quote for EINECS 284-812-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 284-812-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 284-812-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.