2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺
TL;DR: 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺 (CAS 150519-70-3) is a chemical compound with molecular formula C15H9BrClNO4S and molecular weight 412.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺
2-[2-(bromomethyl)-5-chlorophenyl]sulfonylisoindole-1,3-dione
Also Known As: Sch 13929, 5-isobutylisoxazole-3-carboxylic acid, 2-Bromomethyl-5-chlorobenzene sulfonylphthalimide, 2-bromomethyl-5-chlorobenzenesulfonylphthalimide, 2-[2-(bromomethyl)-5-chlorophenyl]sulfonylisoindole-1,3-dione
| Molecular Formula | C15H9BrClNO4S |
|---|---|
| Molecular Weight | 412.91 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.9124 |
| Heavy Atoms | 23 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 150519-70-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)S(=O)(=O)C3=C(C=CC(=C3)Cl)CBr |
| InChIKey | GFPOAZXKWNHYRA-UHFFFAOYSA-N |
Product Overview
2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺 (CAS 150519-70-3), with molecular formula C15H9BrClNO4S and molecular weight 412.91 g/mol. IUPAC: 2-[2-(bromomethyl)-5-chlorophenyl]sulfonylisoindole-1,3-dione.
Chemical Property Profile of 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺
Property Insights of 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺
The XLogP value of 3.2 indicates that 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺. Following Lipinski's Rule of Five, 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺 has 0 hydrogen bond donor(s) and 4 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 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺?
The CAS number of 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺 is 150519-70-3.
What is the molecular formula of 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺?
The molecular formula of 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺 is C15H9BrClNO4S.
What is the molecular weight of 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺?
The molecular weight of 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺 is 412.91 g/mol.
Where can I buy 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺?
You can request a quote for 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for 2-溴甲基-5-氯苯磺酰邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.