1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea
TL;DR: 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea (CAS 145232-89-9) is a chemical compound with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide
Also Known As: 1-Mdb-3-bpet, f3796, 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea, N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide, N-(((2-(1-(Phenylmethyl)-4-piperdinyl)ethyl)amino)thioxomethyl)-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C23H27N3O3S |
|---|---|
| Molecular Weight | 425.18 g/mol |
| LogP | 3.3219 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.1773 |
| Heavy Atoms | 30 |
| Complexity | 882.51697 |
Chemical Identifiers
| CAS Number | 145232-89-9 |
|---|---|
| SMILES | C1CN(CCC1CCNC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4 |
Product Overview
1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea (CAS 145232-89-9), with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol. IUPAC: N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea
Property Insights of 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea
The XLogP value of 3.3219 indicates that 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea. Following Lipinski's Rule of Five, 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea has 2 hydrogen bond donor(s) and 5 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 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea?
The CAS number of 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea is 145232-89-9.
What is the molecular formula of 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea?
The molecular formula of 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea is C23H27N3O3S.
What is the molecular weight of 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea?
The molecular weight of 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea is 425.18 g/mol.
Where can I buy 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea?
You can request a quote for 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-(Methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.