RefChem:567175
TL;DR: RefChem:567175 (CAS 65954-87-2) is a chemical compound with molecular formula C24H29N5O7 and molecular weight 499.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-acetamido-N-(3-ethoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate
Also Known As: 3-Acetylamino-4-(4-nitrophenylazo)-N,N-bis(beta-ethoxycarbonylethyl)aniline, ethyl 3-[3-acetamido-N-(3-ethoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate, .beta.-Alanine, N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-ethoxy-3-oxopropyl)-, ethyl ester, beta-Alanine, N-(3-(acetylamino)-4-((4-nitrophenyl)azo)phenyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester, beta-Alanine, N-(3-(acetylamino)-4-(2-(4-nitrophenyl)diazenyl)phenyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester
| Molecular Formula | C24H29N5O7 |
|---|---|
| Molecular Weight | 499.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 499.2067 |
| Heavy Atoms | 36 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 65954-87-2 |
|---|---|
| SMILES | CCOC(=O)CCN(CCC(=O)OCC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C |
| InChIKey | KJVPJFKGDOKNJC-UHFFFAOYSA-N |
Product Overview
RefChem:567175 (CAS 65954-87-2), with molecular formula C24H29N5O7 and molecular weight 499.21 g/mol. IUPAC: ethyl 3-[3-acetamido-N-(3-ethoxy-3-oxopropyl)-4-[(4-nitrophenyl)diazenyl]anilino]propanoate.
Chemical Property Profile of RefChem:567175
Property Insights of RefChem:567175
The XLogP value of 3.2 indicates that RefChem:567175 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting RefChem:567175 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:567175 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:567175?
The CAS number of RefChem:567175 is 65954-87-2.
What is the molecular formula of RefChem:567175?
The molecular formula of RefChem:567175 is C24H29N5O7.
What is the molecular weight of RefChem:567175?
The molecular weight of RefChem:567175 is 499.21 g/mol.
Where can I buy RefChem:567175?
You can request a quote for RefChem:567175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:567175?
Yes, KEHONG BIO provides custom synthesis services for RefChem:567175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.