RefChem:239087
TL;DR: RefChem:239087 (CAS 59496-26-3) is a chemical compound with molecular formula C23H28ClN3O4 and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1R,7R)-8-(1H-indole-3-carbonyloxy)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propyl-dimethylazanium chloride
Also Known As: BL-4712A, BL 4712A, 1H-Indole-3-carboxylic acid, 2-(3-(dimethylamino)propyl)octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, monohydrochloride, (3a-alpha,4-alpha,5-beta,7-alpha,7a-alpha)-(+-)-, 3-[(1R,7R)-8-(1H-Indole-3-carbonyloxy)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propyl-dimethylazanium;chloride
| Molecular Formula | C23H28ClN3O4 |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | -2.13 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.17682 |
| Heavy Atoms | 31 |
| Complexity | 725.0 |
Chemical Identifiers
| CAS Number | 59496-26-3 |
|---|---|
| SMILES | C[NH+](C)CCCN1C(=O)C2[C@@H]3C[C@H](C2C1=O)C(C3)OC(=O)C4=CNC5=CC=CC=C54.[Cl-] |
| InChIKey | SEYPSTRDPZHIHU-HPTIFWHNSA-N |
Product Overview
RefChem:239087 (CAS 59496-26-3), with molecular formula C23H28ClN3O4 and molecular weight 445.18 g/mol. IUPAC: 3-[(1R,7R)-8-(1H-indole-3-carbonyloxy)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:239087
Property Insights of RefChem:239087
The XLogP value of -2.13 indicates that RefChem:239087 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239087. Following Lipinski's Rule of Five, RefChem:239087 has 2 hydrogen bond donor(s) and 5 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:239087?
The CAS number of RefChem:239087 is 59496-26-3.
What is the molecular formula of RefChem:239087?
The molecular formula of RefChem:239087 is C23H28ClN3O4.
What is the molecular weight of RefChem:239087?
The molecular weight of RefChem:239087 is 445.18 g/mol.
Where can I buy RefChem:239087?
You can request a quote for RefChem:239087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239087?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.