Isopropylcad
TL;DR: Isopropylcad (CAS 74296-42-7) is a chemical compound with molecular formula C23H29Cl2N3O4 and molecular weight 481.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dichlorophenyl)-2-(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propan-2-ylcarbamate
Also Known As: Isopropylcad, isopropyl pyrrolizine, NCI 278214, NCI60_002264, Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester
| Molecular Formula | C23H29Cl2N3O4 |
|---|---|
| Molecular Weight | 481.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.1535 |
| Heavy Atoms | 32 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 74296-42-7 |
|---|---|
| SMILES | CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | CCBHSPUYWZHDFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropylcad (CAS 74296-42-7), with molecular formula C23H29Cl2N3O4 and molecular weight 481.15 g/mol. IUPAC: [3-(3,4-dichlorophenyl)-2-(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propan-2-ylcarbamate.
Chemical Property Profile of Isopropylcad
Property Insights of Isopropylcad
The XLogP value of 4.6 indicates that Isopropylcad is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropylcad. Following Lipinski's Rule of Five, Isopropylcad has 2 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 Isopropylcad?
The CAS number of Isopropylcad is 74296-42-7.
What is the molecular formula of Isopropylcad?
The molecular formula of Isopropylcad is C23H29Cl2N3O4.
What is the molecular weight of Isopropylcad?
The molecular weight of Isopropylcad is 481.15 g/mol.
Where can I buy Isopropylcad?
You can request a quote for Isopropylcad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylcad?
Yes, KEHONG BIO provides custom synthesis services for Isopropylcad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.