![1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv. structure](/static/products/776/77628-01-4.png)
1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.
TL;DR: 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv. (CAS 77628-01-4) is a chemical compound with molecular formula C9H20Cl2N3O3+3 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane;dihydroxy(oxo)azanium
Also Known As: 1, 1,4-diazoniabicyclo[2.2.1] heptane deriv., 1, 1,4-bis(2-chloroethyl)-, dinitrate, 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane; dihydroxy(oxo)azanium, 1,4-Diazabicyclo[2.2.1]heptane, 1,4-diazoniabicyclo[2.2.1] heptane deriv.
| Molecular Formula | C9H20Cl2N3O3+3 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 0.626 |
| Topological Polar Surface Area | 60.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.08817 |
| Heavy Atoms | 17 |
| Complexity | 246.2117 |
Chemical Identifiers
| CAS Number | 77628-01-4 |
|---|---|
| SMILES | C1C[N+]2(CC[N+]1(C2)CCCl)CCCl.[N+](=O)(O)O |
Product Overview
1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv. (CAS 77628-01-4), with molecular formula C9H20Cl2N3O3+3 and molecular weight 288.09 g/mol. IUPAC: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane;dihydroxy(oxo)azanium.
Chemical Property Profile of 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.
Property Insights of 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.
The XLogP value of 0.626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.. The TPSA of 60.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.. Following Lipinski's Rule of Five, 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv. has 2 hydrogen bond donor(s) and 1 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, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.?
The CAS number of 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv. is 77628-01-4.
What is the molecular formula of 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.?
The molecular formula of 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv. is C9H20Cl2N3O3+3.
What is the molecular weight of 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.?
The molecular weight of 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv. is 288.09 g/mol.
Where can I buy 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.?
You can request a quote for 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv.?
Yes, KEHONG BIO provides custom synthesis services for 1, 1,4-Diazoniabicyclo[2.2.1] heptane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.