BIM-0028839.P001
TL;DR: BIM-0028839.P001 (CAS 169177-38-2) is a chemical compound with molecular formula C20H27BrN2O4 and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane;(E)-but-2-enedioic acid
Also Known As: BIM-0028839.P001, (1R,5S)-3-(4-bromobenzyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane fumarate, 3-[(4-bromophenyl)methyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane; (E)-but-2-enedioic acid
| Molecular Formula | C20H27BrN2O4 |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 2.9824 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.11542 |
| Heavy Atoms | 27 |
| Complexity | 672.4382 |
Chemical Identifiers
| CAS Number | 169177-38-2 |
|---|---|
| SMILES | CC12CC(CNC1)(CN(C2)CC3=CC=C(C=C3)Br)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
BIM-0028839.P001 (CAS 169177-38-2), with molecular formula C20H27BrN2O4 and molecular weight 438.12 g/mol. IUPAC: 3-[(4-bromophenyl)methyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane;(E)-but-2-enedioic acid.
Chemical Property Profile of BIM-0028839.P001
Property Insights of BIM-0028839.P001
The XLogP value of 2.9824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0028839.P001. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0028839.P001. Following Lipinski's Rule of Five, BIM-0028839.P001 has 3 hydrogen bond donor(s) and 4 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-0028839.P001?
The CAS number of BIM-0028839.P001 is 169177-38-2.
What is the molecular formula of BIM-0028839.P001?
The molecular formula of BIM-0028839.P001 is C20H27BrN2O4.
What is the molecular weight of BIM-0028839.P001?
The molecular weight of BIM-0028839.P001 is 438.12 g/mol.
Where can I buy BIM-0028839.P001?
You can request a quote for BIM-0028839.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0028839.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0028839.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.