RefChem:220632
TL;DR: RefChem:220632 (CAS 79102-66-2) is a chemical compound with molecular formula C32H30N6O10 and molecular weight 658.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[1-[4-[[2-[(2-methoxycarbonylphenyl)diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzene-1,4-dicarboxylate
Also Known As: EINECS 279-062-8, Dimethyl 2-((1-(((4-((2-((2-(methoxycarbonyl)phenyl)azo)-1,3-dioxobutyl)amino)phenyl)amino)carbonyl)-2-oxopropyl)azo)terephthalate, 1,4-Dimethyl 2-[2-[1-[[[4-[[2-[2-[2-(methoxycarbonyl)phenyl]diazenyl]-1,3-dioxobutyl]amino]phenyl]amino]carbonyl]-2-oxopropyl]diazenyl]-1,4-benzenedicarboxylate, dimethyl 2-[[1-[4-[[2-[(2-methoxycarbonylphenyl)diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylic acid, 2-[[1-[[[4-[[2-[[2-(methoxycarbonyl)phenyl]azo]-1,3-dioxobutyl]amino]phenyl]amino]carbonyl]-2-oxopropyl]azo]-, dimethyl ester
| Molecular Formula | C32H30N6O10 |
|---|---|
| Molecular Weight | 658.20 g/mol |
| LogP | 4.4064 |
| Topological Polar Surface Area | 220.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 658.20233 |
| Heavy Atoms | 48 |
| Complexity | 1802.9801 |
Chemical Identifiers
| CAS Number | 79102-66-2 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)N=NC3=CC=CC=C3C(=O)OC |
Product Overview
RefChem:220632 (CAS 79102-66-2), with molecular formula C32H30N6O10 and molecular weight 658.20 g/mol. IUPAC: dimethyl 2-[[1-[4-[[2-[(2-methoxycarbonylphenyl)diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzene-1,4-dicarboxylate.
Chemical Property Profile of RefChem:220632
Property Insights of RefChem:220632
The XLogP value of 4.4064 indicates that RefChem:220632 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 220.68 Ų indicates high polarity, suggesting RefChem:220632 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:220632 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:220632?
The CAS number of RefChem:220632 is 79102-66-2.
What is the molecular formula of RefChem:220632?
The molecular formula of RefChem:220632 is C32H30N6O10.
What is the molecular weight of RefChem:220632?
The molecular weight of RefChem:220632 is 658.20 g/mol.
Where can I buy RefChem:220632?
You can request a quote for RefChem:220632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:220632?
Yes, KEHONG BIO provides custom synthesis services for RefChem:220632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.