3-Pentanone, semicarbazone
TL;DR: 3-Pentanone, semicarbazone (CAS 623-14-3) is a chemical compound with molecular formula C6H13N3O and molecular weight 143.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(pentan-3-ylideneamino)urea
Also Known As: 3-Pentanone, semicarbazone, 3-Pentanone semicarbazone, (pentan-3-ylideneamino)urea, Diethyl ketone semicarbazone, [(pentan-3-ylidene)amino]urea
| Molecular Formula | C6H13N3O |
|---|---|
| Molecular Weight | 143.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.10587 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 623-14-3 |
|---|---|
| SMILES | CCC(=NNC(=O)N)CC |
| InChIKey | ATROUMKMMZKREN-UHFFFAOYSA-N |
Product Overview
3-Pentanone, semicarbazone (CAS 623-14-3), with molecular formula C6H13N3O and molecular weight 143.11 g/mol. IUPAC: (pentan-3-ylideneamino)urea.
Chemical Property Profile of 3-Pentanone, semicarbazone
Property Insights of 3-Pentanone, semicarbazone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentanone, semicarbazone. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pentanone, semicarbazone. Following Lipinski's Rule of Five, 3-Pentanone, 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 3-Pentanone, semicarbazone?
The CAS number of 3-Pentanone, semicarbazone is 623-14-3.
What is the molecular formula of 3-Pentanone, semicarbazone?
The molecular formula of 3-Pentanone, semicarbazone is C6H13N3O.
What is the molecular weight of 3-Pentanone, semicarbazone?
The molecular weight of 3-Pentanone, semicarbazone is 143.11 g/mol.
Where can I buy 3-Pentanone, semicarbazone?
You can request a quote for 3-Pentanone, semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentanone, semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentanone, semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.