EINECS 299-578-7
TL;DR: EINECS 299-578-7 (CAS 93892-91-2) is a chemical compound with molecular formula C40H28ClN11O18S5 and molecular weight 1144.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-2-sulfoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
Also Known As: EINECS 299-578-7, 7-((2-((Aminocarbonyl)amino)-4-((4-((5-((4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)-2-sulphophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acid, 7-[[2-[ amino]-4-[[4-[[5-[ amino]-2-sulphophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonicacid, 7-[[2-[(AMINOCARBONYL)AMINO]-4-[[4-[[5-[(4-AMINO-9,10-DIHYDRO-9,10-DIOXO-3-SULFO-1-ANTHRYL)AMINO]-2-SULFOPHENYL]AMINO]-6-CHLORO-1,3,5-TRIAZIN-2-YL]AMINO]PHENYL]AZO]NAPHTHALENE-1,3,6-TRISULFONIC ACID, 7-[[2-[(aminocarbonyl)amino]-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-2-sulphophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid
| Molecular Formula | C40H28ClN11O18S5 |
|---|---|
| Molecular Weight | 1144.99 g/mol |
| LogP | 5.4061 |
| Topological Polar Surface Area | 486.61 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Exact Mass | 1144.9906 |
| Heavy Atoms | 75 |
| Complexity | 4337.468 |
Chemical Identifiers
| CAS Number | 93892-91-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)NC5=NC(=NC(=N5)NC6=CC(=C(C=C6)N=NC7=CC8=C(C=C(C=C8C=C7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)S(=O)(=O)O)N |
Product Overview
EINECS 299-578-7 (CAS 93892-91-2), with molecular formula C40H28ClN11O18S5 and molecular weight 1144.99 g/mol. IUPAC: 7-[[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-2-sulfoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid.
Chemical Property Profile of EINECS 299-578-7
Property Insights of EINECS 299-578-7
The XLogP value of 5.4061 indicates that EINECS 299-578-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 486.61 Ų indicates high polarity, suggesting EINECS 299-578-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 299-578-7 has 11 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 299-578-7?
The CAS number of EINECS 299-578-7 is 93892-91-2.
What is the molecular formula of EINECS 299-578-7?
The molecular formula of EINECS 299-578-7 is C40H28ClN11O18S5.
What is the molecular weight of EINECS 299-578-7?
The molecular weight of EINECS 299-578-7 is 1144.99 g/mol.
Where can I buy EINECS 299-578-7?
You can request a quote for EINECS 299-578-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 299-578-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 299-578-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.