Ccris 4897
TL;DR: Ccris 4897 (CAS 63533-70-0) is a chemical compound with molecular formula C50H82O9 and molecular weight 826.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6S,10S,14R,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetradecanoyloxy-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl tetradecanoate
Also Known As: TPA-20-tetradecanoate, 12-O-Tetradecanoylphorbol-13-acetate-20-tetradecanoate, 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-1,1,6,8-alpha-tetramethyl-3-tetradecanoyloxymethyl-, 9a-acetate, 9-tetradecanoate, [(1bS,4aS,7aS,7bS,8R,9R)-9a-(Acetyloxy)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9-(tetradecanoyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-3-yl]methyl tetradecanoate, [9a-(Acetyloxy)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9-(tetradecanoyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-3-yl]methyl tetradecanoate
| Molecular Formula | C50H82O9 |
|---|---|
| Molecular Weight | 826.60 g/mol |
| LogP | 11.0049 |
| Topological Polar Surface Area | 136.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 28 |
| Exact Mass | 826.5959 |
| Heavy Atoms | 59 |
| Complexity | 1463.4095 |
Chemical Identifiers
| CAS Number | 63533-70-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OCC1=C[C@H]2C3C(C3([C@@H]([C@H]([C@@]2([C@@H]4C=C(C(=O)[C@@]4(C1)O)C)O)C)OC(=O)CCCCCCCCCCCCC)OC(=O)C)(C)C |
Product Overview
Ccris 4897 (CAS 63533-70-0), with molecular formula C50H82O9 and molecular weight 826.60 g/mol. IUPAC: [(1S,2S,6S,10S,14R,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetradecanoyloxy-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl tetradecanoate.
Chemical Property Profile of Ccris 4897
Property Insights of Ccris 4897
The XLogP value of 11.0049 indicates that Ccris 4897 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ccris 4897. Following Lipinski's Rule of Five, Ccris 4897 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ccris 4897?
The CAS number of Ccris 4897 is 63533-70-0.
What is the molecular formula of Ccris 4897?
The molecular formula of Ccris 4897 is C50H82O9.
What is the molecular weight of Ccris 4897?
The molecular weight of Ccris 4897 is 826.60 g/mol.
Where can I buy Ccris 4897?
You can request a quote for Ccris 4897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ccris 4897?
Yes, KEHONG BIO provides custom synthesis services for Ccris 4897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.