RefChem:591972
TL;DR: RefChem:591972 (CAS 68110-29-2) is a chemical compound with molecular formula C19H21N5O8S and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-acetyloxyethyl)-4-[(3,5-dinitrothiophen-2-yl)diazenyl]-3-methylanilino]ethyl acetate
Also Known As: 2,2'-((4-((3,5-Dinitro-2-thienyl)azo)-3-methylphenyl)imino)bisethyl diacetate, Ethanol, 2,2'-[[4-[(3,5-dinitro-2-thienyl)azo]-3-methylphenyl]imino]bis-, diacetate (ester), 2,2'-[[4-[(3,5-Dinitro-2-thienyl)azo]-3-methylphenyl]imino]bisethyl diacetate, 2,2'-((4-((3,5-Dinitro-2-thienyl)azo)-3-methylphenyl)imino)bis(ethanol), diacetate, 2,2'-[[4-[ azo]-3-methylphenyl]imino]bisethyldiacetate
| Molecular Formula | C19H21N5O8S |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 479.11108 |
| Heavy Atoms | 33 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 68110-29-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MSZSVSAHVAQWOK-UHFFFAOYSA-N |
Product Overview
RefChem:591972 (CAS 68110-29-2), with molecular formula C19H21N5O8S and molecular weight 479.11 g/mol. IUPAC: 2-[N-(2-acetyloxyethyl)-4-[(3,5-dinitrothiophen-2-yl)diazenyl]-3-methylanilino]ethyl acetate.
Chemical Property Profile of RefChem:591972
Property Insights of RefChem:591972
The XLogP value of 4.0 indicates that RefChem:591972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 200.0 Ų indicates high polarity, suggesting RefChem:591972 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:591972 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:591972?
The CAS number of RefChem:591972 is 68110-29-2.
What is the molecular formula of RefChem:591972?
The molecular formula of RefChem:591972 is C19H21N5O8S.
What is the molecular weight of RefChem:591972?
The molecular weight of RefChem:591972 is 479.11 g/mol.
Where can I buy RefChem:591972?
You can request a quote for RefChem:591972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:591972?
Yes, KEHONG BIO provides custom synthesis services for RefChem:591972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.