RefChem:565871
TL;DR: RefChem:565871 (CAS 53918-53-9) is a chemical compound with molecular formula C40H51ClN2O7 and molecular weight 706.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
Also Known As: BAS 00116952, 4-[1-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid, Benzoic acid, 4-[1-[[[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-, 2-[(4-CARBOXY-PHENOXY)-4,4-DIMETHYL-3-OXO-PENTANOIC ACID-[2- CHLOR-5- [4-(2,4-DI-TERT-PENTYL-PHENOXY)-BUTYRAMIDO]]-ANILIDE, 4-[(1-{[5-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl}amino)-2-chlorophenyl]amino}-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy]benzoic acid
| Molecular Formula | C40H51ClN2O7 |
|---|---|
| Molecular Weight | 706.34 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 706.3385 |
| Heavy Atoms | 50 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 53918-53-9 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)OC3=CC=C(C=C3)C(=O)O)C(C)(C)CC |
| InChIKey | UHUHWJMSXWDGAT-UHFFFAOYSA-N |
Product Overview
RefChem:565871 (CAS 53918-53-9), with molecular formula C40H51ClN2O7 and molecular weight 706.34 g/mol. IUPAC: 4-[1-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid.
Chemical Property Profile of RefChem:565871
Property Insights of RefChem:565871
The XLogP value of 10.4 indicates that RefChem:565871 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:565871. Following Lipinski's Rule of Five, RefChem:565871 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:565871?
The CAS number of RefChem:565871 is 53918-53-9.
What is the molecular formula of RefChem:565871?
The molecular formula of RefChem:565871 is C40H51ClN2O7.
What is the molecular weight of RefChem:565871?
The molecular weight of RefChem:565871 is 706.34 g/mol.
Where can I buy RefChem:565871?
You can request a quote for RefChem:565871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.