Monochlorobimane
TL;DR: Monochlorobimane (CAS 76421-73-3) is a chemical compound with molecular formula C10H11ClN2O2 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(chloromethyl)-1,2,6-trimethylpyrazolo[1,2-a]pyrazole-3,5-dione
Also Known As: Monochlorobimane, Chlorobimane, MBCl, Thiolyte MC, D-erythro-Sphinganine
| Molecular Formula | C10H11ClN2O2 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.0509 |
| Heavy Atoms | 15 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 76421-73-3 |
|---|---|
| SMILES | CC1=C(N2C(=C(C(=O)N2C1=O)C)CCl)C |
| InChIKey | SUIPVTCEECPFIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monochlorobimane (CAS 76421-73-3), with molecular formula C10H11ClN2O2 and molecular weight 226.05 g/mol. IUPAC: 7-(chloromethyl)-1,2,6-trimethylpyrazolo[1,2-a]pyrazole-3,5-dione.
Chemical Property Profile of Monochlorobimane
Property Insights of Monochlorobimane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monochlorobimane. With a topological polar surface area (TPSA) of 40.6 Ų, Monochlorobimane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Monochlorobimane 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 Monochlorobimane?
The CAS number of Monochlorobimane is 76421-73-3.
What is the molecular formula of Monochlorobimane?
The molecular formula of Monochlorobimane is C10H11ClN2O2.
What is the molecular weight of Monochlorobimane?
The molecular weight of Monochlorobimane is 226.05 g/mol.
Where can I buy Monochlorobimane?
You can request a quote for Monochlorobimane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monochlorobimane?
Yes, KEHONG BIO provides custom synthesis services for Monochlorobimane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.