![2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide structure](/static/products/1035/103576-30-3.webp)
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide
TL;DR: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide (CAS 103576-30-3) is a chemical compound with molecular formula C36H45ClN4O4 and molecular weight 632.31 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-chloro-3-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]hexanamide
Also Known As: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide, 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-chloro-3-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]hexanamide, 2-[2,4-Bis(2-methylbutane-2-yl)phenoxy]-N-[4-[(4-chloro-3-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]hexanamide, N-(4-{[(4-chloro-3-cyanoanilino)carbonyl]amino}-3-hydroxyphenyl)-2-(2,4-ditert-pentylphenoxy)hexanamide, N-(4-Chloro-3-cyanophenyl)-N -[4-[2-(2,4-di-tert-pentylphenoxy)hexanoylamino]-2-hydroxyphenyl]urea
| Molecular Formula | C36H45ClN4O4 |
|---|---|
| Molecular Weight | 632.31 g/mol |
| LogP | 9.51278 |
| Topological Polar Surface Area | 123.48 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 632.3129 |
| Heavy Atoms | 45 |
| Complexity | 1561.0846 |
Chemical Identifiers
| CAS Number | 103576-30-3 |
|---|---|
| SMILES | CCCCC(C(=O)NC1=CC(=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)C#N)O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC |
Product Overview
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide (CAS 103576-30-3), with molecular formula C36H45ClN4O4 and molecular weight 632.31 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[(4-chloro-3-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]hexanamide.
Chemical Property Profile of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide
Property Insights of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide
The XLogP value of 9.51278 indicates that 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide. Following Lipinski's Rule of Five, 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide?
The CAS number of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide is 103576-30-3.
What is the molecular formula of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide?
The molecular formula of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide is C36H45ClN4O4.
What is the molecular weight of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide?
The molecular weight of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide is 632.31 g/mol.
Where can I buy 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide?
You can request a quote for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(4-{[(4-chloro-3-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)hexanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.