(3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-
TL;DR: (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO- (CAS 1449-61-2) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,10R,13S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-, [(3S,10R,13S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 3.629 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 677.38354 |
Chemical Identifiers
| CAS Number | 1449-61-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3C(=O)C=C2C1)CCC4=O)C)C |
Product Overview
(3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO- (CAS 1449-61-2), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: [(3S,10R,13S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-
Property Insights of (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-
The XLogP value of 3.629 indicates that (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-. Following Lipinski's Rule of Five, (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-?
The CAS number of (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO- is 1449-61-2.
What is the molecular formula of (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-?
The molecular formula of (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO- is C21H28O4.
What is the molecular weight of (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-?
The molecular weight of (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO- is 344.20 g/mol.
Where can I buy (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-?
You can request a quote for (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-?
Yes, KEHONG BIO provides custom synthesis services for (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-7,17-DIOXO-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.