EINECS 279-212-2
TL;DR: EINECS 279-212-2 (CAS 79665-25-1) is a chemical compound with molecular formula C20H18ClN5O5 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-3-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoate
Also Known As: EINECS 279-212-2, Ethyl 4-chloro-3-((1-(((2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino)carbonyl)-2-oxopropyl)azo)benzoate, ETHYL 4-CHLORO-3-[[1-[[(2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOL-5-YL)AMINO]CARBONYL]-2-OXOPROPYL]AZO]BENZOATE, ethyl4-chloro-3-[[1-[[ amino]carbonyl]-2-oxopropyl]azo]benzoate, ethyl 4-chloro-3-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoate
| Molecular Formula | C20H18ClN5O5 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 3.3663 |
| Topological Polar Surface Area | 145.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.09964 |
| Heavy Atoms | 31 |
| Complexity | 1246.2316 |
Chemical Identifiers
| CAS Number | 79665-25-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)Cl)N=NC(C(=O)C)C(=O)NC2=CC3=C(C=C2)NC(=O)N3 |
Product Overview
EINECS 279-212-2 (CAS 79665-25-1), with molecular formula C20H18ClN5O5 and molecular weight 443.10 g/mol. IUPAC: ethyl 4-chloro-3-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoate.
Chemical Property Profile of EINECS 279-212-2
Property Insights of EINECS 279-212-2
The XLogP value of 3.3663 indicates that EINECS 279-212-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.84 Ų indicates high polarity, suggesting EINECS 279-212-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 279-212-2 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 279-212-2?
The CAS number of EINECS 279-212-2 is 79665-25-1.
What is the molecular formula of EINECS 279-212-2?
The molecular formula of EINECS 279-212-2 is C20H18ClN5O5.
What is the molecular weight of EINECS 279-212-2?
The molecular weight of EINECS 279-212-2 is 443.10 g/mol.
Where can I buy EINECS 279-212-2?
You can request a quote for EINECS 279-212-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-212-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-212-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.