1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2)
TL;DR: 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) (CAS 73387-70-9) is a chemical compound with molecular formula C17H24Cl2N2O8 and molecular weight 454.09 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;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2), 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane;(Z)-4-hydroxy-4-oxobut-2-enoate, 1,4-Diazoniabicyclo(2.2.1)heptane, 1,4-bis(2-chloroethyl)-, (Z)-2-butenedioate (1:2), 1,4-Diazoniabicyclo(2.2.1)heptane, 1,4-bis(2-chloroethyl)-,(Z)-2-butenedioate (1:2), 2-Butenedioic acid, (Z)-, ion(1-), 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (2:1)
| Molecular Formula | C17H24Cl2N2O8 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | -2.1635 |
| Topological Polar Surface Area | 154.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.09097 |
| Heavy Atoms | 29 |
| Complexity | 557.3442 |
Chemical Identifiers
| CAS Number | 73387-70-9 |
|---|---|
| SMILES | C1[N+]2(C[N+](C1)(CC2)CCCl)CCCl.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) (CAS 73387-70-9), with molecular formula C17H24Cl2N2O8 and molecular weight 454.09 g/mol. IUPAC: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2)
Property Insights of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2)
The XLogP value of -2.1635 indicates that 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.86 Ų indicates high polarity, suggesting 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) has 2 hydrogen bond donor(s) and 6 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 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2)?
The CAS number of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) is 73387-70-9.
What is the molecular formula of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2)?
The molecular formula of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) is C17H24Cl2N2O8.
What is the molecular weight of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2)?
The molecular weight of 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) is 454.09 g/mol.
Where can I buy 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2)?
You can request a quote for 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo(2.2.1)heptane (Z)-2-butenedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.