Dibrospidium
TL;DR: Dibrospidium (CAS 86641-78-3) is a chemical compound with molecular formula C18H32Br2N4O2+2 and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one
Also Known As: Dibrospidium, Dibrospidium ion, Dibrospidium cation, Spirobromide, Spirobromin
| Molecular Formula | C18H32Br2N4O2+2 |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.08716 |
| Heavy Atoms | 26 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 86641-78-3 |
|---|---|
| SMILES | C1C[N+]2(CCN1C(=O)CCBr)CC[N+]3(CCN(CC3)C(=O)CCBr)CC2 |
| InChIKey | JXEICPOBKSQAIU-UHFFFAOYSA-N |
Product Overview
Dibrospidium (CAS 86641-78-3), with molecular formula C18H32Br2N4O2+2 and molecular weight 494.09 g/mol. IUPAC: 3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one.
Chemical Property Profile of Dibrospidium
Property Insights of Dibrospidium
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibrospidium. With a topological polar surface area (TPSA) of 40.6 Ų, Dibrospidium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibrospidium has 0 hydrogen bond donor(s) and 2 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 Dibrospidium?
The CAS number of Dibrospidium is 86641-78-3.
What is the molecular formula of Dibrospidium?
The molecular formula of Dibrospidium is C18H32Br2N4O2+2.
What is the molecular weight of Dibrospidium?
The molecular weight of Dibrospidium is 494.09 g/mol.
Where can I buy Dibrospidium?
You can request a quote for Dibrospidium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibrospidium?
Yes, KEHONG BIO provides custom synthesis services for Dibrospidium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.