Calebassine
TL;DR: Calebassine (CAS 7257-29-6) is a chemical compound with molecular formula C40H48N4O2+2 and molecular weight 616.37775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
28,38-di(ethylidene)-14,30-dimethyl-8,24-diaza-14,30-diazoniadodecacyclo[25.5.2.211,14.11,26.110,17.02,7.09,25.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,18,20,22-hexaene-35,36-diol
Also Known As: Calebassine, 21,24-Diethylidene-8c,18c-dihydroxy-1,11-dimethyl-1,2,3,8a,8b,8c,9,10,10a,11,12,13,18a,18b,18c,19,20,20a-octadecahydro-1,19:9,11-diethanoindolo[1'',2'',3'':1',7']pyrrolo[2'',3'':6',7']indolo[2',3':4,5]pyrrolo[1,2,3-lm]pyrrolo[2,3-d]carbazole-1,11-diium, 9H,19H-1,19:9,11-Diethanoindolo[1'',2'',3'':1',7']pyrrolo[2''',3''':6',7']indolo[2',3':4,5]pyrrolo[1,2,3-lm]pyrrolo[2,3-d]carbazolium, 21,24-diethylidene-2,3,8a,8b,8c,10,10a,12,13,18a,18b,18c,20,20a-tetradecahydro-8c,18c-dihydroxy-1,11-dimethyl-, (1S,3aR,8aR,8bR,8cS,9R,10aR,11S,13aR,18aR,18bR,18cS,19R,20aR,21E,24E)-
Technical Specifications
| Molecular Formula | C40H48N4O2+2 |
| Molecular Weight | 616.37775 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 616.37775 Da |
| Heavy Atoms | 46 |
| Complexity | 1400.0 |
| SMILES | CC=C1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(CC2=CC)C)O)C1=CC=CC=C41)O)C |
| InChIKey | HVWCEUHZKLPKRE-UHFFFAOYSA-N |
Chemical Property Profile of Calebassine
Property Insights of Calebassine
The XLogP value of 3.7 indicates that Calebassine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, Calebassine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calebassine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Calebassine?
The CAS number of Calebassine is 7257-29-6.
What is the molecular formula of Calebassine?
The molecular formula of Calebassine is C40H48N4O2+2.
What is the molecular weight of Calebassine?
The molecular weight of Calebassine is 616.37775 g/mol.
Where can I buy Calebassine?
You can request a quote for Calebassine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calebassine?
Yes, CoreyChem provides custom synthesis services for Calebassine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.