![[(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate structure](/static/products/7588/75886-29-2.webp)
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
TL;DR: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate (CAS 75886-29-2) is a chemical compound with molecular formula C23H35BrO3 and molecular weight 438.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate|[17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,
| Molecular Formula | C23H35BrO3 |
|---|---|
| Molecular Weight | 438.18 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.17697 |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 75886-29-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CBr)C)C |
| InChIKey | IBHPLFBELZHLNV-QTLDOONUSA-N |
Product Overview
[(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate (CAS 75886-29-2), with molecular formula C23H35BrO3 and molecular weight 438.18 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Property Insights of [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
The XLogP value of 6.2 indicates that [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 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,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 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,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
The CAS number of [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is 75886-29-2.
What is the molecular formula of [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
The molecular formula of [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is C23H35BrO3.
What is the molecular weight of [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
The molecular weight of [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate is 438.18 g/mol.
Where can I buy [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
You can request a quote for [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(3S,5S,8R,9S,10S,13S,14S,17S)-17-(2-bromoacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.