[3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih
TL;DR: [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih (CAS 74296-48-3) is a chemical compound with molecular formula C27H37Cl2N3O4 and molecular weight 537.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-pentylcarbamate
Also Known As: [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih|[3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-pentylcarbamate|[5-(3,4-Dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(pentylcarbamate)|Carbamic acid, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester
| Molecular Formula | C27H37Cl2N3O4 |
|---|---|
| Molecular Weight | 537.22 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 537.2161 |
| Heavy Atoms | 36 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 74296-48-3 |
|---|---|
| SMILES | CCCCCNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NCCCCC)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | DNHVEZFHFCHFJW-UHFFFAOYSA-N |
Product Overview
[3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih (CAS 74296-48-3), with molecular formula C27H37Cl2N3O4 and molecular weight 537.22 g/mol. IUPAC: [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-pentylcarbamate.
Chemical Property Profile of [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih
Property Insights of [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih
The XLogP value of 6.6 indicates that [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih 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 [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih. Following Lipinski's Rule of Five, [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih?
The CAS number of [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih is 74296-48-3.
What is the molecular formula of [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih?
The molecular formula of [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih is C27H37Cl2N3O4.
What is the molecular weight of [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih?
The molecular weight of [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih is 537.22 g/mol.
Where can I buy [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih?
You can request a quote for [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih?
Yes, KEHONG BIO provides custom synthesis services for [3-(3,4-dichlorophenyl)-2-(pentylcarbamoyloxymethyl)-6,7-dih and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.