1-Benzyl-3-cyclopentylthiourea
TL;DR: 1-Benzyl-3-cyclopentylthiourea (CAS 454433-71-7) is a chemical compound with molecular formula C13H18N2S and molecular weight 234.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-cyclopentylthiourea
Also Known As: 1-benzyl-3-cyclopentylthiourea, AB00323632-04
| Molecular Formula | C13H18N2S |
|---|---|
| Molecular Weight | 234.12 g/mol |
| LogP | 2.5933 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.11906 |
| Heavy Atoms | 16 |
| Complexity | 331.04565 |
Chemical Identifiers
| CAS Number | 454433-71-7 |
|---|---|
| SMILES | C1CCC(C1)NC(=S)NCC2=CC=CC=C2 |
Product Overview
1-Benzyl-3-cyclopentylthiourea (CAS 454433-71-7), with molecular formula C13H18N2S and molecular weight 234.12 g/mol. IUPAC: 1-benzyl-3-cyclopentylthiourea.
Chemical Property Profile of 1-Benzyl-3-cyclopentylthiourea
Property Insights of 1-Benzyl-3-cyclopentylthiourea
The XLogP value of 2.5933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-cyclopentylthiourea. With a topological polar surface area (TPSA) of 24.06 Ų, 1-Benzyl-3-cyclopentylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-cyclopentylthiourea has 2 hydrogen bond donor(s) and 1 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-Benzyl-3-cyclopentylthiourea?
The CAS number of 1-Benzyl-3-cyclopentylthiourea is 454433-71-7.
What is the molecular formula of 1-Benzyl-3-cyclopentylthiourea?
The molecular formula of 1-Benzyl-3-cyclopentylthiourea is C13H18N2S.
What is the molecular weight of 1-Benzyl-3-cyclopentylthiourea?
The molecular weight of 1-Benzyl-3-cyclopentylthiourea is 234.12 g/mol.
Where can I buy 1-Benzyl-3-cyclopentylthiourea?
You can request a quote for 1-Benzyl-3-cyclopentylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-cyclopentylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-cyclopentylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.