RefChem:87434
TL;DR: RefChem:87434 (CAS 86422-04-0) is a chemical compound with molecular formula C23H29Cl2N3O5 and molecular weight 497.14844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(3,4-dichlorophenyl)-6-hydroxy-2-(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propan-2-ylcarbamate
Also Known As: KST-1A8945, 1.2-Dimethyl-4-phenyl-pyrimidon-(6), [5-(3,4-dichlorophenyl)-2-hydroxy-2,3-dihydro-1h-pyrrolizine-6,7-diyl]dimethanediyl bis(propan-2-ylcarbamate), 2-Hydroxy-5-(3,4-dichlorophenyl)-6,7-bis(hydroxymethyl)-2,3-dihydro-1H-pyrrolizine bis(2-propylcarbamate), [3-(3,4-dichlorophenyl)-6-hydroxy-2-(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propan-2-ylcarbamate
Technical Specifications
| Molecular Formula | C23H29Cl2N3O5 |
| Molecular Weight | 497.14844 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.14844 Da |
| Heavy Atoms | 33 |
| Complexity | 682.0 |
| SMILES | CC(C)NC(=O)OCC1=C2CC(CN2C(=C1COC(=O)NC(C)C)C3=CC(=C(C=C3)Cl)Cl)O |
| InChIKey | HFYYIYVYBXADGP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:87434
Property Insights of RefChem:87434
The XLogP value of 3.6 indicates that RefChem:87434 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:87434. Following Lipinski's Rule of Five, RefChem:87434 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:87434?
The CAS number of RefChem:87434 is 86422-04-0.
What is the molecular formula of RefChem:87434?
The molecular formula of RefChem:87434 is C23H29Cl2N3O5.
What is the molecular weight of RefChem:87434?
The molecular weight of RefChem:87434 is 497.14844 g/mol.
Where can I buy RefChem:87434?
You can request a quote for RefChem:87434 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:87434?
Yes, CoreyChem provides custom synthesis services for RefChem:87434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.