NCI60_002165
TL;DR: NCI60_002165 (CAS 62523-06-2) is a chemical compound with molecular formula C21H25Cl2N3O4 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-ethylcarbamate
Also Known As: NCI60_002165, [3-(3,4-dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihy, [3-(3,4-dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-ethylcarbamate, [5-(3,4-Dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(ethylcarbamate), Carbamic acid, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester
| Molecular Formula | C21H25Cl2N3O4 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.12222 |
| Heavy Atoms | 30 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 62523-06-2 |
|---|---|
| SMILES | CCNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NCC)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | HPZPIYUIZRBRLO-UHFFFAOYSA-N |
Product Overview
NCI60_002165 (CAS 62523-06-2), with molecular formula C21H25Cl2N3O4 and molecular weight 453.12 g/mol. IUPAC: [3-(3,4-dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-ethylcarbamate.
Chemical Property Profile of NCI60_002165
Property Insights of NCI60_002165
The XLogP value of 3.7 indicates that NCI60_002165 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 NCI60_002165. Following Lipinski's Rule of Five, NCI60_002165 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 NCI60_002165?
The CAS number of NCI60_002165 is 62523-06-2.
What is the molecular formula of NCI60_002165?
The molecular formula of NCI60_002165 is C21H25Cl2N3O4.
What is the molecular weight of NCI60_002165?
The molecular weight of NCI60_002165 is 453.12 g/mol.
Where can I buy NCI60_002165?
You can request a quote for NCI60_002165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002165?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.