ChemDiv1_021460
TL;DR: ChemDiv1_021460 (CAS 304012-21-3) is a chemical compound with molecular formula C27H31N3O2 and molecular weight 429.24164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-2-(3-hydroxypropylamino)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00332369, 3-benzyl-2-[(3-hydroxypropyl)amino]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-benzyl-2-(3-hydroxypropylamino)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-[(3-hydroxypropyl)amino]-3-benzylspiro[3,5,6-trihydrobenzo[h]quinazoline-5,1 '-cyclohexane]-4-one, 3-benzyl-2-((3-hydroxypropyl)amino)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Technical Specifications
| Molecular Formula | C27H31N3O2 |
| Molecular Weight | 429.24164 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.24164 Da |
| Heavy Atoms | 32 |
| Complexity | 746.0 |
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)NCCCO)CC5=CC=CC=C5 |
| InChIKey | KYPYYYAZCFUIBG-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv1_021460
Property Insights of ChemDiv1_021460
The XLogP value of 5.2 indicates that ChemDiv1_021460 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021460. Following Lipinski's Rule of Five, ChemDiv1_021460 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ChemDiv1_021460?
The CAS number of ChemDiv1_021460 is 304012-21-3.
What is the molecular formula of ChemDiv1_021460?
The molecular formula of ChemDiv1_021460 is C27H31N3O2.
What is the molecular weight of ChemDiv1_021460?
The molecular weight of ChemDiv1_021460 is 429.24164 g/mol.
Where can I buy ChemDiv1_021460?
You can request a quote for ChemDiv1_021460 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_021460?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_021460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.