Candletoxin B
TL;DR: Candletoxin B (CAS 64854-98-4) is a chemical compound with molecular formula C33H42O8 and molecular weight 566.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 2-methylbutanoate
Also Known As: Candletoxin B, Sandoz 33-824, Benzeneacetic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-1-((2-methyl-1-oxobutoxy)methyl)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, [1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-[(2-phenylacetyl)oxy]tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-12-yl]methyl 2-methylbutanoate, {4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-5-oxo-9a-[(phenylacetyl)oxy]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-1-yl}methyl 2-methylbutanoate
| Molecular Formula | C33H42O8 |
|---|---|
| Molecular Weight | 566.29 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.28796 |
| Heavy Atoms | 41 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 64854-98-4 |
|---|---|
| SMILES | CCC(C)C(=O)OCC1(C2C1(CC(C3(C2C=C(CC4(C3C=C(C4=O)C)O)CO)O)C)OC(=O)CC5=CC=CC=C5)C |
| InChIKey | ZYOWRJJLOWQJNS-UHFFFAOYSA-N |
Product Overview
Candletoxin B (CAS 64854-98-4), with molecular formula C33H42O8 and molecular weight 566.29 g/mol. IUPAC: [1,6-dihydroxy-8-(hydroxymethyl)-4,12,15-trimethyl-5-oxo-13-(2-phenylacetyl)oxy-12-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl 2-methylbutanoate.
Chemical Property Profile of Candletoxin B
Property Insights of Candletoxin B
The XLogP value of 3.1 indicates that Candletoxin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Candletoxin B. Following Lipinski's Rule of Five, Candletoxin B has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Candletoxin B?
The CAS number of Candletoxin B is 64854-98-4.
What is the molecular formula of Candletoxin B?
The molecular formula of Candletoxin B is C33H42O8.
What is the molecular weight of Candletoxin B?
The molecular weight of Candletoxin B is 566.29 g/mol.
Where can I buy Candletoxin B?
You can request a quote for Candletoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Candletoxin B?
Yes, KEHONG BIO provides custom synthesis services for Candletoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.