1-N-3-Methylphthalimidobutan-3-semicarbazone
TL;DR: 1-N-3-Methylphthalimidobutan-3-semicarbazone (CAS 120592-98-5) is a chemical compound with molecular formula C14H16N4O3 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-(4-methyl-1,3-dioxoisoindol-2-yl)butan-2-ylideneamino]urea
Also Known As: 1-Mpibsc, 1-N-3-Methylphthalimidobutan-3-semicarbazone, [(E)-4-(4-methyl-1,3-dioxoisoindol-2-yl)butan-2-ylideneamino]urea, 2-(3-(1,2-Dihydro-4-methyl-1,3-dioxo-2H-isoindol-2-yl)-1-methylpropylidene)hydrazinecarboxamide, Hydrazinecarboxamide, 2-(3-(1,2-dihydro-4-methyl-1,3-dioxo-2H-isoindol-2-yl)-1-methylpropylidene)-
| Molecular Formula | C14H16N4O3 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 1.02532 |
| Topological Polar Surface Area | 104.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.12225 |
| Heavy Atoms | 21 |
| Complexity | 651.61926 |
Chemical Identifiers
| CAS Number | 120592-98-5 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=O)N(C2=O)CC/C(=N/NC(=O)N)/C |
Product Overview
1-N-3-Methylphthalimidobutan-3-semicarbazone (CAS 120592-98-5), with molecular formula C14H16N4O3 and molecular weight 288.12 g/mol. IUPAC: [(E)-4-(4-methyl-1,3-dioxoisoindol-2-yl)butan-2-ylideneamino]urea.
Chemical Property Profile of 1-N-3-Methylphthalimidobutan-3-semicarbazone
Property Insights of 1-N-3-Methylphthalimidobutan-3-semicarbazone
The XLogP value of 1.02532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-N-3-Methylphthalimidobutan-3-semicarbazone. The TPSA of 104.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-N-3-Methylphthalimidobutan-3-semicarbazone. Following Lipinski's Rule of Five, 1-N-3-Methylphthalimidobutan-3-semicarbazone has 2 hydrogen bond donor(s) and 4 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-N-3-Methylphthalimidobutan-3-semicarbazone?
The CAS number of 1-N-3-Methylphthalimidobutan-3-semicarbazone is 120592-98-5.
What is the molecular formula of 1-N-3-Methylphthalimidobutan-3-semicarbazone?
The molecular formula of 1-N-3-Methylphthalimidobutan-3-semicarbazone is C14H16N4O3.
What is the molecular weight of 1-N-3-Methylphthalimidobutan-3-semicarbazone?
The molecular weight of 1-N-3-Methylphthalimidobutan-3-semicarbazone is 288.12 g/mol.
Where can I buy 1-N-3-Methylphthalimidobutan-3-semicarbazone?
You can request a quote for 1-N-3-Methylphthalimidobutan-3-semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N-3-Methylphthalimidobutan-3-semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1-N-3-Methylphthalimidobutan-3-semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.