ML029
TL;DR: ML029 (CAS 758679-97-9) is a chemical compound with molecular formula C28H40BrN3O3 and molecular weight 545.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethylbenzimidazol-1-yl]ethanone;hydrobromide
Also Known As: ML029, BIM-0027009.P001, 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethylbenzimidazol-1-yl]ethanone hydrobromide
| Molecular Formula | C28H40BrN3O3 |
|---|---|
| Molecular Weight | 545.23 g/mol |
| LogP | 6.20884 |
| Topological Polar Surface Area | 87.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.2253 |
| Heavy Atoms | 35 |
| Complexity | 1181.8763 |
Chemical Identifiers
| CAS Number | 758679-97-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(=N2)NCCCO)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C.Br |
Product Overview
ML029 (CAS 758679-97-9), with molecular formula C28H40BrN3O3 and molecular weight 545.23 g/mol. IUPAC: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[2-(3-hydroxypropylamino)-5,6-dimethylbenzimidazol-1-yl]ethanone;hydrobromide.
Chemical Property Profile of ML029
Property Insights of ML029
The XLogP value of 6.20884 indicates that ML029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ML029. Following Lipinski's Rule of Five, ML029 has 3 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 ML029?
The CAS number of ML029 is 758679-97-9.
What is the molecular formula of ML029?
The molecular formula of ML029 is C28H40BrN3O3.
What is the molecular weight of ML029?
The molecular weight of ML029 is 545.23 g/mol.
Where can I buy ML029?
You can request a quote for ML029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML029?
Yes, KEHONG BIO provides custom synthesis services for ML029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.