Pinacolone Semicarbazone
TL;DR: Pinacolone Semicarbazone (CAS 640-64-2) is a chemical compound with molecular formula C7H15N3O and molecular weight 157.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethylbutan-2-ylideneamino)urea
Also Known As: Pinacolone Semicarbazone, Pinakolin-semicarbazon, (3,3-dimethylbutan-2-ylideneamino)urea, Hydrazinecarboxamide, 2-(1,2,2-trimethylpropylidene)-, 2-(3,3-Dimethylbutan-2-ylidene)hydrazine-1-carboxamide
| Molecular Formula | C7H15N3O |
|---|---|
| Molecular Weight | 157.12 g/mol |
| LogP | 1.0767 |
| Topological Polar Surface Area | 67.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.1215 |
| Heavy Atoms | 11 |
| Complexity | 178.61493 |
Chemical Identifiers
| CAS Number | 640-64-2 |
|---|---|
| SMILES | CC(=NNC(=O)N)C(C)(C)C |
Product Overview
Pinacolone Semicarbazone (CAS 640-64-2), with molecular formula C7H15N3O and molecular weight 157.12 g/mol. IUPAC: (3,3-dimethylbutan-2-ylideneamino)urea.
Chemical Property Profile of Pinacolone Semicarbazone
Property Insights of Pinacolone Semicarbazone
The XLogP value of 1.0767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pinacolone Semicarbazone. The TPSA of 67.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinacolone Semicarbazone. Following Lipinski's Rule of Five, Pinacolone Semicarbazone 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 Pinacolone Semicarbazone?
The CAS number of Pinacolone Semicarbazone is 640-64-2.
What is the molecular formula of Pinacolone Semicarbazone?
The molecular formula of Pinacolone Semicarbazone is C7H15N3O.
What is the molecular weight of Pinacolone Semicarbazone?
The molecular weight of Pinacolone Semicarbazone is 157.12 g/mol.
Where can I buy Pinacolone Semicarbazone?
You can request a quote for Pinacolone Semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinacolone Semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Pinacolone Semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.