3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one
TL;DR: 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one (CAS 19558-22-6) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3-(propan-2-ylideneamino)-1H-quinazolin-4-one
Also Known As: 2,2-dimethyl-IDQO, 2,2-dimethyl-3-(propan-2-ylideneamino)-2,3-dihydroquinazolin-4(1H)-one, 2,2-dimethyl-3-(propan-2-ylideneamino)-1H-quinazolin-4-one, 3-(Isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one, 3-Isopropylideneamino-2,2-dimethyl-2,3-dihydro-1H-quinazolin-4-one
| Molecular Formula | C13H17N3O |
|---|---|
| Molecular Weight | 231.14 g/mol |
| LogP | 2.6862 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.13716 |
| Heavy Atoms | 17 |
| Complexity | 487.19287 |
Chemical Identifiers
| CAS Number | 19558-22-6 |
|---|---|
| SMILES | CC(=NN1C(=O)C2=CC=CC=C2NC1(C)C)C |
Product Overview
3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one (CAS 19558-22-6), with molecular formula C13H17N3O and molecular weight 231.14 g/mol. IUPAC: 2,2-dimethyl-3-(propan-2-ylideneamino)-1H-quinazolin-4-one.
Chemical Property Profile of 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one
Property Insights of 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one
The XLogP value of 2.6862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one. With a topological polar surface area (TPSA) of 44.7 Ų, 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one has 1 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 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one?
The CAS number of 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one is 19558-22-6.
What is the molecular formula of 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one?
The molecular formula of 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one is C13H17N3O.
What is the molecular weight of 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one?
The molecular weight of 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one is 231.14 g/mol.
Where can I buy 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one?
You can request a quote for 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(isopropylideneamino)-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.