RefChem:239253
TL;DR: RefChem:239253 (CAS 115398-84-0) is a chemical compound with molecular formula C21H19N5O5 and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-((1-(4-morpholinylmethyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-, 2-((1-(4-Morpholinylmethyl)-1H-benzimidazol-2-yl)methyl)-5-nitro-1H-isoindole-1,3(2H)-dione, 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione, 2-({1-[(Morpholin-4-yl)methyl]-1H-1,3-benzimidazol-2-yl}methyl)-5-nitro-1H-isoindole-1,3(2H)-dione, RefChem:239253
| Molecular Formula | C21H19N5O5 |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 2.0304 |
| Topological Polar Surface Area | 110.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.1386 |
| Heavy Atoms | 31 |
| Complexity | 1214.0908 |
Chemical Identifiers
| CAS Number | 115398-84-0 |
|---|---|
| SMILES | C1COCCN1CN2C3=CC=CC=C3N=C2CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-] |
Product Overview
RefChem:239253 (CAS 115398-84-0), with molecular formula C21H19N5O5 and molecular weight 421.14 g/mol. IUPAC: 2-[[1-(morpholin-4-ylmethyl)benzimidazol-2-yl]methyl]-5-nitroisoindole-1,3-dione.
Chemical Property Profile of RefChem:239253
Property Insights of RefChem:239253
The XLogP value of 2.0304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239253. The TPSA of 110.81 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239253. Following Lipinski's Rule of Five, RefChem:239253 has 0 hydrogen bond donor(s) and 7 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 RefChem:239253?
The CAS number of RefChem:239253 is 115398-84-0.
What is the molecular formula of RefChem:239253?
The molecular formula of RefChem:239253 is C21H19N5O5.
What is the molecular weight of RefChem:239253?
The molecular weight of RefChem:239253 is 421.14 g/mol.
Where can I buy RefChem:239253?
You can request a quote for RefChem:239253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239253?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.