RefChem:446467
TL;DR: RefChem:446467 (CAS 35650-01-2) is a chemical compound with molecular formula C21H21N5O8 and molecular weight 471.14 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)anilino]ethyl methyl carbonate
Also Known As: N,N-Bis(2-methoxycarbonyloxyethyl)-4-((4-nitro-2-cyanophenyl)azo)benzeneamine, 2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-[4-[(2-cyano-4-nitrophenyl)azo]phenyl]-3-oxo-, methyl ester, 2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-(4-((2-cyano-4-nitrophenyl)azo)phenyl)-3-oxo-, methyl ester, 2,8,10-Trioxa-5-azaundecanoic acid, 5-(4-(2-(2-cyano-4-nitrophenyl)diazenyl)phenyl)-9-oxo-, methyl ester, Methyl 7-(4-((2-cyano-4-nitrophenyl)azo)phenyl)-3-oxo-2,4,10-trioxa-7-azaundecan-11-oate
| Molecular Formula | C21H21N5O8 |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 471.139 |
| Heavy Atoms | 34 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 35650-01-2 |
|---|---|
| SMILES | COC(=O)OCCN(CCOC(=O)OC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N |
| InChIKey | GTHNVSHMWNWRTL-UHFFFAOYSA-N |
Product Overview
RefChem:446467 (CAS 35650-01-2), with molecular formula C21H21N5O8 and molecular weight 471.14 g/mol. IUPAC: 2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(2-methoxycarbonyloxyethyl)anilino]ethyl methyl carbonate.
Chemical Property Profile of RefChem:446467
Property Insights of RefChem:446467
The XLogP value of 4.0 indicates that RefChem:446467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting RefChem:446467 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446467 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:446467?
The CAS number of RefChem:446467 is 35650-01-2.
What is the molecular formula of RefChem:446467?
The molecular formula of RefChem:446467 is C21H21N5O8.
What is the molecular weight of RefChem:446467?
The molecular weight of RefChem:446467 is 471.14 g/mol.
Where can I buy RefChem:446467?
You can request a quote for RefChem:446467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446467?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.