4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone
TL;DR: 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone (CAS 331676-81-4) is a chemical compound with molecular formula C14H23N3S and molecular weight 265.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-ylideneamino]thiourea
Also Known As: BAS 00459056, BIM-0019385.P001, 4-(5-isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone, [(E)-4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-ylideneamino]thiourea, (E)-2-(4-(2-methyl-5-(prop-1-en-2-yl)cyclopent-1-en-1-yl)butan-2-ylidene)hydrazinecarbothioamide
| Molecular Formula | C14H23N3S |
|---|---|
| Molecular Weight | 265.16 g/mol |
| LogP | 3.2783 |
| Topological Polar Surface Area | 50.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.16125 |
| Heavy Atoms | 18 |
| Complexity | 407.26218 |
Chemical Identifiers
| CAS Number | 331676-81-4 |
|---|---|
| SMILES | CC1=C(C(CC1)C(=C)C)CC/C(=N/NC(=S)N)/C |
Product Overview
4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone (CAS 331676-81-4), with molecular formula C14H23N3S and molecular weight 265.16 g/mol. IUPAC: [(E)-4-(2-methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-ylideneamino]thiourea.
Chemical Property Profile of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone
Property Insights of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone
The XLogP value of 3.2783 indicates that 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.41 Ų, 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone has 2 hydrogen bond donor(s) and 2 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 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone?
The CAS number of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone is 331676-81-4.
What is the molecular formula of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone?
The molecular formula of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone is C14H23N3S.
What is the molecular weight of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone?
The molecular weight of 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone is 265.16 g/mol.
Where can I buy 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone?
You can request a quote for 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Isopropenyl-2-methyl-1-cyclopenten-1-yl)-2-butanone thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.