EINECS 300-528-4
TL;DR: EINECS 300-528-4 (CAS 93941-79-8) is a chemical compound with molecular formula C35H26Cl2N14O16S5 and molecular weight 1127.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[2-(carbamoylamino)-4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
Also Known As: 7-((2-(Carbamoylamino)-4-((4-chloro-6-((5-((4-chloro-6-(3-sulphoanilino)-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azonaphthalene-1,3,6-trisulphonic acid, 7-[(e)-{2-(carbamoylamino)-4-[(4-chloro-6-{[5-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]amino}-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]naphthalene-1,3,6-trisulfonic acid, 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[[5-[[4-chloro-6-(3-sulphoanilino)-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulphonic acid, 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid, 7-[[2-[(Aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-1,3,6-naphthalenetrisulfonic acid
| Molecular Formula | C35H26Cl2N14O16S5 |
|---|---|
| Molecular Weight | 1127.96 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 519.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 16 |
| Exact Mass | 1127.9631 |
| Heavy Atoms | 72 |
| Complexity | 2510.0 |
Chemical Identifiers
| CAS Number | 93941-79-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC(=C(C=C5)N=NC6=CC7=C(C=C(C=C7C=C6S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl |
| InChIKey | VEQOVHJGGPXRTE-UHFFFAOYSA-N |
Product Overview
EINECS 300-528-4 (CAS 93941-79-8), with molecular formula C35H26Cl2N14O16S5 and molecular weight 1127.96 g/mol. IUPAC: 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid.
Chemical Property Profile of EINECS 300-528-4
Property Insights of EINECS 300-528-4
The XLogP value of 3.4 indicates that EINECS 300-528-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 519.0 Ų indicates high polarity, suggesting EINECS 300-528-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 300-528-4 has 11 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 300-528-4?
The CAS number of EINECS 300-528-4 is 93941-79-8.
What is the molecular formula of EINECS 300-528-4?
The molecular formula of EINECS 300-528-4 is C35H26Cl2N14O16S5.
What is the molecular weight of EINECS 300-528-4?
The molecular weight of EINECS 300-528-4 is 1127.96 g/mol.
Where can I buy EINECS 300-528-4?
You can request a quote for EINECS 300-528-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 300-528-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 300-528-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.