[(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop-
TL;DR: [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- (CAS 66979-63-3) is a chemical compound with molecular formula C30H38O3 and molecular weight 446.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(3-phenylprop-2-enoyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop-
| Molecular Formula | C30H38O3 |
|---|---|
| Molecular Weight | 446.28 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.2821 |
| Heavy Atoms | 33 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 66979-63-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C(=O)C=CC5=CC=CC=C5)C)C |
| InChIKey | FPGBQRAYOLMBRS-RUVHYARKSA-N |
Product Overview
[(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- (CAS 66979-63-3), with molecular formula C30H38O3 and molecular weight 446.28 g/mol. IUPAC: [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(3-phenylprop-2-enoyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop-
Property Insights of [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop-
The XLogP value of 6.9 indicates that [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop-?
The CAS number of [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- is 66979-63-3.
What is the molecular formula of [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop-?
The molecular formula of [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- is C30H38O3.
What is the molecular weight of [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop-?
The molecular weight of [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- is 446.28 g/mol.
Where can I buy [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop-?
You can request a quote for [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop-?
Yes, KEHONG BIO provides custom synthesis services for [(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-(3-phenylprop- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.