RefChem:563629
TL;DR: RefChem:563629 (CAS 65151-61-3) is a chemical compound with molecular formula C31H29N3O6 and molecular weight 539.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-benzoyloxyethyl)-4-(1,2-dicyano-3-ethoxy-3-oxopropyl)anilino]ethyl benzoate
Also Known As: Benzenepropanoic acid, 4-(bis(2-(benzoyloxy)ethyl)amino)-alpha,beta-dicyano-, ethyl ester, Benzenepropanoic acid, 4-[bis[2-(benzoyloxy)ethyl]amino]-.alpha.,.beta.-dicyano-, ethyl ester, Hydrocinnamic acid, p-(bis(2-hydroxyethyl)amino)-alpha,beta-dicyano-, ethyl ester, dibenzoate (ester), 2-[N-(2-benzoyloxyethyl)-4-(1,2-dicyano-3-ethoxy-3-oxopropyl)anilino]ethyl benzoate, Ethyl 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2,3-dicyanopropionate
| Molecular Formula | C31H29N3O6 |
|---|---|
| Molecular Weight | 539.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 539.2056 |
| Heavy Atoms | 40 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 65151-61-3 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C#N)C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3 |
| InChIKey | RBSBTQHUNDPDQR-UHFFFAOYSA-N |
Product Overview
RefChem:563629 (CAS 65151-61-3), with molecular formula C31H29N3O6 and molecular weight 539.21 g/mol. IUPAC: 2-[N-(2-benzoyloxyethyl)-4-(1,2-dicyano-3-ethoxy-3-oxopropyl)anilino]ethyl benzoate.
Chemical Property Profile of RefChem:563629
Property Insights of RefChem:563629
The XLogP value of 5.0 indicates that RefChem:563629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:563629. Following Lipinski's Rule of Five, RefChem:563629 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:563629?
The CAS number of RefChem:563629 is 65151-61-3.
What is the molecular formula of RefChem:563629?
The molecular formula of RefChem:563629 is C31H29N3O6.
What is the molecular weight of RefChem:563629?
The molecular weight of RefChem:563629 is 539.21 g/mol.
Where can I buy RefChem:563629?
You can request a quote for RefChem:563629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.