Crystal Violet lactone
TL;DR: Crystal Violet lactone (CAS 1552-42-7) is a chemical compound with molecular formula C26H29N3O2 and molecular weight 415.22598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
Also Known As: Crystal violet lactone, Pergascript Blue I 2R, COPIKEM 1 BLUE, 3,3-Bis(p-dimethylaminophenyl)-6-dimethylaminophthalide, Crystal violet lactone [CVL]
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H29N3O2 |
| Molecular Weight | 415.22598 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 36.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.22598 Da |
| Heavy Atoms | 31 |
| Complexity | 590.0 |
| Melting Point | 356 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 72.5 °F (NTP, 1992) |
| SMILES | CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C |
| InChIKey | IPAJDLMMTVZVPP-UHFFFAOYSA-N |
Chemical Property Profile of Crystal Violet lactone
Property Insights of Crystal Violet lactone
The XLogP value of 5.3 indicates that Crystal Violet lactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.0 Ų, Crystal Violet lactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crystal Violet lactone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Crystal Violet lactone?
The CAS number of Crystal Violet lactone is 1552-42-7.
What is the molecular formula of Crystal Violet lactone?
The molecular formula of Crystal Violet lactone is C26H29N3O2.
What is the molecular weight of Crystal Violet lactone?
The molecular weight of Crystal Violet lactone is 415.22598 g/mol.
Where can I buy Crystal Violet lactone?
You can request a quote for Crystal Violet lactone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Crystal Violet lactone?
Yes, CoreyChem provides custom synthesis services for Crystal Violet lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.