BIM-0042786.P001
TL;DR: BIM-0042786.P001 (CAS 439121-46-7) is a chemical compound with molecular formula C19H28N4O3 and molecular weight 360.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetate
Also Known As: BIM-0042786.P001, AE-848/34328010, butyl {2-imino-3-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}acetate, butyl 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetate, butyl {2-imino-3-[2-(4-morpholinyl)ethyl]-2,3-dihydro-1H-benzimidazol-1-yl}acetate
| Molecular Formula | C19H28N4O3 |
|---|---|
| Molecular Weight | 360.22 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 360.21616 |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 439121-46-7 |
|---|---|
| SMILES | CCCCOC(=O)CN1C2=CC=CC=C2N(C1=N)CCN3CCOCC3 |
| InChIKey | LGUTYYMXMUAHRJ-UHFFFAOYSA-N |
Product Overview
BIM-0042786.P001 (CAS 439121-46-7), with molecular formula C19H28N4O3 and molecular weight 360.22 g/mol. IUPAC: butyl 2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetate.
Chemical Property Profile of BIM-0042786.P001
Property Insights of BIM-0042786.P001
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0042786.P001. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042786.P001. Following Lipinski's Rule of Five, BIM-0042786.P001 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0042786.P001?
The CAS number of BIM-0042786.P001 is 439121-46-7.
What is the molecular formula of BIM-0042786.P001?
The molecular formula of BIM-0042786.P001 is C19H28N4O3.
What is the molecular weight of BIM-0042786.P001?
The molecular weight of BIM-0042786.P001 is 360.22 g/mol.
Where can I buy BIM-0042786.P001?
You can request a quote for BIM-0042786.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042786.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042786.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.