3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl
TL;DR: 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl (CAS 67128-86-3) is a chemical compound with molecular formula C13H22Cl2N3O2 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: BCCTO, Hydrazine mustard spin label, N',N'-bis(2-chloroethyl)-1-, 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl, 1H-Pyrrol-1-yloxy, 3-((2,2-bis(2-chloroethyl)hydrazino)carbonyl)-2,5-dihydro-2,2,5,5-tetramethyl-
| Molecular Formula | C13H22Cl2N3O2 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 36.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.10892 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 67128-86-3 |
|---|---|
| SMILES | CC1(C=C(C(N1[O])(C)C)C(=O)NN(CCCl)CCCl)C |
| InChIKey | LLRMKOOVDNSTLY-UHFFFAOYSA-N |
Product Overview
3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl (CAS 67128-86-3), with molecular formula C13H22Cl2N3O2 and molecular weight 322.11 g/mol.
Chemical Property Profile of 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl
Property Insights of 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl. With a topological polar surface area (TPSA) of 36.6 Ų, 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl has 1 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 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl?
The CAS number of 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl is 67128-86-3.
What is the molecular formula of 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl?
The molecular formula of 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl is C13H22Cl2N3O2.
What is the molecular weight of 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl?
The molecular weight of 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl is 322.11 g/mol.
Where can I buy 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl?
You can request a quote for 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bis-(2-chloroethyl)carbohydrazide)-2,2,5,5-tetramethylpyroline-1-oxyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.