EINECS 287-466-0
TL;DR: EINECS 287-466-0 (CAS 85508-41-4) is a chemical compound with molecular formula C21H21ClN6O6 and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[bis(prop-2-enyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
Also Known As: EINECS 287-466-0, N-[2-[ azo]-5- -4-methoxyphenyl]acetamide, N-[2-[(2-CHLORO-4,6-DINITROPHENYL)AZO]-5-(DIALLYLAMINO)-4-METHOXYPHENYL]ACETAMIDE, N-(2-((2-Chloro-4,6-dinitrophenyl)azo)-5-(diallylamino)-4-methoxyphenyl)acetamide, N-[2-[2-(2-Chloro-4,6-dinitrophenyl)diazenyl]-5-(di-2-propen-1-ylamino)-4-methoxyphenyl]acetamide
| Molecular Formula | C21H21ClN6O6 |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 5.7172 |
| Topological Polar Surface Area | 152.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 488.12112 |
| Heavy Atoms | 34 |
| Complexity | 1172.8292 |
Chemical Identifiers
| CAS Number | 85508-41-4 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CC=C)CC=C |
Product Overview
EINECS 287-466-0 (CAS 85508-41-4), with molecular formula C21H21ClN6O6 and molecular weight 488.12 g/mol. IUPAC: N-[5-[bis(prop-2-enyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide.
Chemical Property Profile of EINECS 287-466-0
Property Insights of EINECS 287-466-0
The XLogP value of 5.7172 indicates that EINECS 287-466-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.57 Ų indicates high polarity, suggesting EINECS 287-466-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-466-0 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 287-466-0?
The CAS number of EINECS 287-466-0 is 85508-41-4.
What is the molecular formula of EINECS 287-466-0?
The molecular formula of EINECS 287-466-0 is C21H21ClN6O6.
What is the molecular weight of EINECS 287-466-0?
The molecular weight of EINECS 287-466-0 is 488.12 g/mol.
Where can I buy EINECS 287-466-0?
You can request a quote for EINECS 287-466-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-466-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-466-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.