RefChem:446466
TL;DR: RefChem:446466 (CAS 94850-14-3) is a chemical compound with molecular formula C22H23N5O8 and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(2-methoxycarbonyloxyethyl)-3-methylanilino]ethyl methyl carbonate
Also Known As: N,N-Bis(2-((methoxycarbonyl)oxy)ethyl)-3-methyl-4-((2-cyano-4-nitrophenyl)azo)benzeneamine, Benzenamine, N,N-bis(2-((methoxycarbonyl)oxy)ethyl)-4-((4-nitro-2-cyanophenyl)azo)-3-methyl-, Methyl 7-(4-((2-cyano-4-nitrophenyl)azo)-3-oxo-m-tolyl)-2,4,10-trioxa-7-azaundecan-11-oate, 2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-(4-((2-cyano-4-nitrophenyl)azo)-3-methylphenyl)-3-oxo-, methyl ester, 2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-[4-[(2-cyano-4-nitrophenyl)azo]-3-methylphenyl]-3-oxo-, methyl ester
| Molecular Formula | C22H23N5O8 |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 485.15466 |
| Heavy Atoms | 35 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 94850-14-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)OC)CCOC(=O)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N |
| InChIKey | DKEKZBAMMFOUGD-UHFFFAOYSA-N |
Product Overview
RefChem:446466 (CAS 94850-14-3), with molecular formula C22H23N5O8 and molecular weight 485.15 g/mol. IUPAC: 2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(2-methoxycarbonyloxyethyl)-3-methylanilino]ethyl methyl carbonate.
Chemical Property Profile of RefChem:446466
Property Insights of RefChem:446466
The XLogP value of 4.3 indicates that RefChem:446466 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting RefChem:446466 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446466 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446466?
The CAS number of RefChem:446466 is 94850-14-3.
What is the molecular formula of RefChem:446466?
The molecular formula of RefChem:446466 is C22H23N5O8.
What is the molecular weight of RefChem:446466?
The molecular weight of RefChem:446466 is 485.15 g/mol.
Where can I buy RefChem:446466?
You can request a quote for RefChem:446466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446466?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.