2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone
TL;DR: 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone (CAS 413609-62-8) is a chemical compound with molecular formula C12H23N3OS and molecular weight 257.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2-(2-butoxyethyl)cyclopentylidene]amino]thiourea
Also Known As: [[2-(2-butoxyethyl)cyclopentylidene]amino]thiourea, Hydrazinecarbothioamide, 2-[2-(2-butoxyethyl)cyclopentylidene]-, 2-(2-butoxyethyl)-1-cyclopentanone thiosemicarbazone, Hydrazinecarbothioamide,2-[2-(2-butoxyethyl)cyclopentylidene], 2-[2-(2-Butoxyethyl)cyclopentylidene]hydrazine-1-carbothioamide
| Molecular Formula | C12H23N3OS |
|---|---|
| Molecular Weight | 257.16 g/mol |
| LogP | 2.1825 |
| Topological Polar Surface Area | 59.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.1562 |
| Heavy Atoms | 17 |
| Complexity | 268.47635 |
Chemical Identifiers
| CAS Number | 413609-62-8 |
|---|---|
| SMILES | CCCCOCCC1CCCC1=NNC(=S)N |
Product Overview
2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone (CAS 413609-62-8), with molecular formula C12H23N3OS and molecular weight 257.16 g/mol. IUPAC: [[2-(2-butoxyethyl)cyclopentylidene]amino]thiourea.
Chemical Property Profile of 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone
Property Insights of 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone
The XLogP value of 2.1825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone. With a topological polar surface area (TPSA) of 59.64 Ų, 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone has 2 hydrogen bond donor(s) and 3 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 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone?
The CAS number of 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone is 413609-62-8.
What is the molecular formula of 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone?
The molecular formula of 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone is C12H23N3OS.
What is the molecular weight of 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone?
The molecular weight of 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone is 257.16 g/mol.
Where can I buy 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone?
You can request a quote for 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Butoxyethyl)-1-cyclopentanone thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.