EINECS 250-321-7
TL;DR: EINECS 250-321-7 (CAS 30744-85-5) is a chemical compound with molecular formula C52H61ClN2O8S and molecular weight 908.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
Also Known As: HEXACHLOROBENZENE, N-(5-((4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-4,4-dimethyl-3-oxo-2-(4-((4-(phenylmethoxy)phenyl)sulphonyl)phenoxy)valeramide, 744B855, I01-1663, N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
| Molecular Formula | C52H61ClN2O8S |
|---|---|
| Molecular Weight | 908.38 g/mol |
| LogP | 13.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 908.3837 |
| Heavy Atoms | 64 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 30744-85-5 |
|---|---|
| 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)S(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(C)(C)CC |
| InChIKey | AHFGXYNQFIKDFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EINECS 250-321-7 (CAS 30744-85-5), with molecular formula C52H61ClN2O8S and molecular weight 908.38 g/mol. IUPAC: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide.
Chemical Property Profile of EINECS 250-321-7
Property Insights of EINECS 250-321-7
The XLogP value of 13.2 indicates that EINECS 250-321-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting EINECS 250-321-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 250-321-7 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 250-321-7?
The CAS number of EINECS 250-321-7 is 30744-85-5.
What is the molecular formula of EINECS 250-321-7?
The molecular formula of EINECS 250-321-7 is C52H61ClN2O8S.
What is the molecular weight of EINECS 250-321-7?
The molecular weight of EINECS 250-321-7 is 908.38 g/mol.
Where can I buy EINECS 250-321-7?
You can request a quote for EINECS 250-321-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 250-321-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 250-321-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.