1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one)
TL;DR: 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one) (CAS 7345-21-3) is a chemical compound with molecular formula C12H18Br3N3O3 and molecular weight 488.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(3-bromopropanoyl)-1,3,5-triazinan-1-yl]-3-bromopropan-1-one
Also Known As: Chemical crosslinker, 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tris(3-bromopropan-1-one), 1-[3,5-bis(3-bromopropanoyl)-1,3,5-triazinan-1-yl]-3-bromopropan-1-one, 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, RefChem:211784
| Molecular Formula | C12H18Br3N3O3 |
|---|---|
| Molecular Weight | 488.89 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.88983 |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 7345-21-3 |
|---|---|
| SMILES | C1N(CN(CN1C(=O)CCBr)C(=O)CCBr)C(=O)CCBr |
| InChIKey | UYNTZRFVDTZUQI-UHFFFAOYSA-N |
Product Overview
1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one) (CAS 7345-21-3), with molecular formula C12H18Br3N3O3 and molecular weight 488.89 g/mol. IUPAC: 1-[3,5-bis(3-bromopropanoyl)-1,3,5-triazinan-1-yl]-3-bromopropan-1-one.
Chemical Property Profile of 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one)
Property Insights of 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one)
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one). The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one). Following Lipinski's Rule of Five, 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one) has 0 hydrogen bond donor(s) and 3 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 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one)?
The CAS number of 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one) is 7345-21-3.
What is the molecular formula of 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one)?
The molecular formula of 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one) is C12H18Br3N3O3.
What is the molecular weight of 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one)?
The molecular weight of 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one) is 488.89 g/mol.
Where can I buy 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one)?
You can request a quote for 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one)?
Yes, KEHONG BIO provides custom synthesis services for 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(3-bromopropan-1-one) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.