C-Calebassine, 18,18'-dihydroxy-
TL;DR: C-Calebassine, 18,18'-dihydroxy- (CAS 69356-54-3) is a chemical compound with molecular formula C40H48N4O4+2 and molecular weight 648.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(28Z,38Z)-28,38-bis(2-hydroxyethylidene)-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: Toxiferine IV, C-Alkaloid A, C-Alkaloid F, C-Calebassine, 18-hydroxy-, 18,18'-Dihydroxy-C-calebassine
| Molecular Formula | C40H48N4O4+2 |
|---|---|
| Molecular Weight | 648.37 g/mol |
| LogP | 2.2186 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 648.36755 |
| Heavy Atoms | 48 |
| Complexity | 1778.7236 |
Chemical Identifiers
| CAS Number | 69356-54-3 |
|---|---|
| SMILES | C[N+]12C3C4(C5(N(C6=CC=CC=C46)C7C(C5C(C3)/C(=C/CO)/C1)N8C9(C7C1/C(=C/CO)/C[N+]3(C(C9(C4=CC=CC=C84)CC3)C1)C)O)O)CC2 |
Product Overview
C-Calebassine, 18,18'-dihydroxy- (CAS 69356-54-3), with molecular formula C40H48N4O4+2 and molecular weight 648.37 g/mol. IUPAC: (28Z,38Z)-28,38-bis(2-hydroxyethylidene)-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.
Chemical Property Profile of C-Calebassine, 18,18'-dihydroxy-
Property Insights of C-Calebassine, 18,18'-dihydroxy-
The XLogP value of 2.2186 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C-Calebassine, 18,18'-dihydroxy-. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for C-Calebassine, 18,18'-dihydroxy-. Following Lipinski's Rule of Five, C-Calebassine, 18,18'-dihydroxy- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C-Calebassine, 18,18'-dihydroxy-?
The CAS number of C-Calebassine, 18,18'-dihydroxy- is 69356-54-3.
What is the molecular formula of C-Calebassine, 18,18'-dihydroxy-?
The molecular formula of C-Calebassine, 18,18'-dihydroxy- is C40H48N4O4+2.
What is the molecular weight of C-Calebassine, 18,18'-dihydroxy-?
The molecular weight of C-Calebassine, 18,18'-dihydroxy- is 648.37 g/mol.
Where can I buy C-Calebassine, 18,18'-dihydroxy-?
You can request a quote for C-Calebassine, 18,18'-dihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C-Calebassine, 18,18'-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for C-Calebassine, 18,18'-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.