溴米索伐
TL;DR: 溴米索伐 (CAS 496-67-3) is a chemical compound with molecular formula C6H11BrN2O2 and molecular weight 222.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴米索伐
2-bromo-N-carbamoyl-3-methylbutanamide
Also Known As: Bromisoval, bromisovalum, bromovalerylurea, Bromvalerylurea, Bromural
| Molecular Formula | C6H11BrN2O2 |
|---|---|
| Molecular Weight | 222.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0004 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 496-67-3 |
|---|---|
| SMILES | CC(C)C(C(=O)NC(=O)N)Br |
| InChIKey | CMCCHHWTTBEZNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴米索伐 (CAS 496-67-3), with molecular formula C6H11BrN2O2 and molecular weight 222.00 g/mol. IUPAC: 2-bromo-N-carbamoyl-3-methylbutanamide.
Chemical Property Profile of 溴米索伐
Property Insights of 溴米索伐
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴米索伐. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 溴米索伐. Following Lipinski's Rule of Five, 溴米索伐 has 2 hydrogen bond donor(s) and 2 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 溴米索伐?
The CAS number of 溴米索伐 is 496-67-3.
What is the molecular formula of 溴米索伐?
The molecular formula of 溴米索伐 is C6H11BrN2O2.
What is the molecular weight of 溴米索伐?
The molecular weight of 溴米索伐 is 222.00 g/mol.
Where can I buy 溴米索伐?
You can request a quote for 溴米索伐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴米索伐?
Yes, KEHONG BIO provides custom synthesis services for 溴米索伐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.