[2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy
TL;DR: [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy (CAS 62522-85-4) is a chemical compound with molecular formula C25H33Cl2N3O4 and molecular weight 509.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-butylcarbamate
Also Known As: [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy|[2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-butylcarbamate|[5-(3,4-Dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(butylcarbamate)|Carbamic acid, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene)ester
| Molecular Formula | C25H33Cl2N3O4 |
|---|---|
| Molecular Weight | 509.18 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 509.1848 |
| Heavy Atoms | 34 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 62522-85-4 |
|---|---|
| SMILES | CCCCNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NCCCC)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | QAICVSDGPAJYKW-UHFFFAOYSA-N |
Product Overview
[2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy (CAS 62522-85-4), with molecular formula C25H33Cl2N3O4 and molecular weight 509.18 g/mol. IUPAC: [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-butylcarbamate.
Chemical Property Profile of [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy
Property Insights of [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy
The XLogP value of 5.5 indicates that [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy 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 [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy. Following Lipinski's Rule of Five, [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy 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 [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy?
The CAS number of [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy is 62522-85-4.
What is the molecular formula of [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy?
The molecular formula of [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy is C25H33Cl2N3O4.
What is the molecular weight of [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy?
The molecular weight of [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy is 509.18 g/mol.
Where can I buy [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy?
You can request a quote for [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy?
Yes, KEHONG BIO provides custom synthesis services for [2-(butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.