CCRIS 5195
TL;DR: CCRIS 5195 (CAS 80188-99-4) is a chemical compound with molecular formula C42H56O8 and molecular weight 688.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Also Known As: 12-O-Retinoylphorbol-13-acetate, PHORBOL-12-RETINOATE-13-ACETATE, [(1S,2S,6R,10S,11R,13S,14R,15R)-13-Acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
| Molecular Formula | C42H56O8 |
|---|---|
| Molecular Weight | 688.40 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 688.3975 |
| Heavy Atoms | 50 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 80188-99-4 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C=C(C)C=CC=C(C)C=CC5=C(CCCC5(C)C)C |
| InChIKey | GTNCUWBKHZZECN-UMYMUMQUSA-N |
Product Overview
CCRIS 5195 (CAS 80188-99-4), with molecular formula C42H56O8 and molecular weight 688.40 g/mol. IUPAC: [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate.
Chemical Property Profile of CCRIS 5195
Property Insights of CCRIS 5195
The XLogP value of 6.4 indicates that CCRIS 5195 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 CCRIS 5195. Following Lipinski's Rule of Five, CCRIS 5195 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 CCRIS 5195?
The CAS number of CCRIS 5195 is 80188-99-4.
What is the molecular formula of CCRIS 5195?
The molecular formula of CCRIS 5195 is C42H56O8.
What is the molecular weight of CCRIS 5195?
The molecular weight of CCRIS 5195 is 688.40 g/mol.
Where can I buy CCRIS 5195?
You can request a quote for CCRIS 5195 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CCRIS 5195?
Yes, KEHONG BIO provides custom synthesis services for CCRIS 5195 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.