EINECS 304-963-0
TL;DR: EINECS 304-963-0 (CAS 94313-65-2) is a chemical compound with molecular formula C36H44N4O5 and molecular weight 612.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]hexanamide
Also Known As: EINECS 304-963-0, 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanamide, 2-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-N-[4-[[[(4-CYANOPHENYL)AMINO]CARBONYL]AMINO]-3,6-DIOXOCYCLOHEXA-1,4-DIEN-1-YL]HEXANAMIDE, 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3,6-dioxo-1,4-cyclohexadien-1-yl]hexanamide, 2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-cyanoanilino)(hydroxy)methylidene]amino}-3,6-dioxocyclohexa-1,4-dien-1-yl)hexanimidic acid
| Molecular Formula | C36H44N4O5 |
|---|---|
| Molecular Weight | 612.33 g/mol |
| LogP | 6.72858 |
| Topological Polar Surface Area | 137.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 612.3312 |
| Heavy Atoms | 45 |
| Complexity | 1544.0073 |
Chemical Identifiers
| CAS Number | 94313-65-2 |
|---|---|
| SMILES | CCCCC(C(=O)NC1=CC(=O)C(=CC1=O)NC(=O)NC2=CC=C(C=C2)C#N)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC |
Product Overview
EINECS 304-963-0 (CAS 94313-65-2), with molecular formula C36H44N4O5 and molecular weight 612.33 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-cyanophenyl)carbamoylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]hexanamide.
Chemical Property Profile of EINECS 304-963-0
Property Insights of EINECS 304-963-0
The XLogP value of 6.72858 indicates that EINECS 304-963-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.39 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 304-963-0. Following Lipinski's Rule of Five, EINECS 304-963-0 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 304-963-0?
The CAS number of EINECS 304-963-0 is 94313-65-2.
What is the molecular formula of EINECS 304-963-0?
The molecular formula of EINECS 304-963-0 is C36H44N4O5.
What is the molecular weight of EINECS 304-963-0?
The molecular weight of EINECS 304-963-0 is 612.33 g/mol.
Where can I buy EINECS 304-963-0?
You can request a quote for EINECS 304-963-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 304-963-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 304-963-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.