RefChem:200829
TL;DR: RefChem:200829 (CAS 29426-52-6) is a chemical compound with molecular formula C22H26N4O8S and molecular weight 506.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-acetyloxyethyl)-3-methyl-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl acetate
Also Known As: 2,2'-((4-((2-(Methylsulphonyl)-4-nitrophenyl)azo)-m-tolyl)imino)bisethyl diacetate, Ethanol, 2,2'-((3-methyl-4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)imino)bis-, diacetate (ester), Ethanol, 2,2'-((3-methyl-4-(2-(2-(methylsulfonyl)-4-nitrophenyl)diazenyl)phenyl)imino)bis-, 1,1'-diacetate, Ethanol, 2,2'-((4-((2-(methylsulfonyl)-4-nitrophenyl)azo)-m-tolyl)imino)di-, diacetate (ester), Ethanol, 2,2'-[[3-methyl-4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]imino]bis-, diacetate (ester)
| Molecular Formula | C22H26N4O8S |
|---|---|
| Molecular Weight | 506.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 506.14713 |
| Heavy Atoms | 35 |
| Complexity | 850.0 |
Chemical Identifiers
| CAS Number | 29426-52-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C |
| InChIKey | AGNWOVTXIOJMKI-UHFFFAOYSA-N |
Product Overview
RefChem:200829 (CAS 29426-52-6), with molecular formula C22H26N4O8S and molecular weight 506.15 g/mol. IUPAC: 2-[N-(2-acetyloxyethyl)-3-methyl-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl acetate.
Chemical Property Profile of RefChem:200829
Property Insights of RefChem:200829
The XLogP value of 3.0 indicates that RefChem:200829 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting RefChem:200829 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:200829 has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:200829?
The CAS number of RefChem:200829 is 29426-52-6.
What is the molecular formula of RefChem:200829?
The molecular formula of RefChem:200829 is C22H26N4O8S.
What is the molecular weight of RefChem:200829?
The molecular weight of RefChem:200829 is 506.15 g/mol.
Where can I buy RefChem:200829?
You can request a quote for RefChem:200829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:200829?
Yes, KEHONG BIO provides custom synthesis services for RefChem:200829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.