[1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol
TL;DR: [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol (CAS 91523-59-0) is a chemical compound with molecular formula C29H39N3O4 and molecular weight 493.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]methyl N-cyclohexylcarbamate
Also Known As: [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol|[1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]methyl N-cyclohexylcarbamate|(3-Methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1,2-diyl)bis(methylene) bis(cyclohexylcarbamate)
| Molecular Formula | C29H39N3O4 |
|---|---|
| Molecular Weight | 493.29 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.29407 |
| Heavy Atoms | 36 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 91523-59-0 |
|---|---|
| SMILES | CC1=C(C(=C2N1CCC3=CC=CC=C32)COC(=O)NC4CCCCC4)COC(=O)NC5CCCCC5 |
| InChIKey | WUORDFYWHMMBBV-UHFFFAOYSA-N |
Product Overview
[1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol (CAS 91523-59-0), with molecular formula C29H39N3O4 and molecular weight 493.29 g/mol. IUPAC: [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]methyl N-cyclohexylcarbamate.
Chemical Property Profile of [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol
Property Insights of [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol
The XLogP value of 5.3 indicates that [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol 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 [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol. Following Lipinski's Rule of Five, [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol 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 [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol?
The CAS number of [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol is 91523-59-0.
What is the molecular formula of [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol?
The molecular formula of [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol is C29H39N3O4.
What is the molecular weight of [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol?
The molecular weight of [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol is 493.29 g/mol.
Where can I buy [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol?
You can request a quote for [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol?
Yes, KEHONG BIO provides custom synthesis services for [1-(cyclohexylcarbamoyloxymethyl)-3-methyl-5,6-dihydropyrrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.