![(2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one structure](/static/products/210/2102-31-0.png)
(2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
TL;DR: (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one (CAS 2102-31-0) is a chemical compound with molecular formula C28H47BrO and molecular weight 478.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C28H47BrO |
|---|---|
| Molecular Weight | 478.28 g/mol |
| LogP | 8.4403 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.28104 |
| Heavy Atoms | 30 |
| Complexity | 657.02454 |
Chemical Identifiers
| CAS Number | 2102-31-0 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC[C@@]4(C3(C[C@H](C(=O)C4)Br)C)C)C |
Product Overview
(2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one (CAS 2102-31-0), with molecular formula C28H47BrO and molecular weight 478.28 g/mol. IUPAC: (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Property Insights of (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
The XLogP value of 8.4403 indicates that (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one?
The CAS number of (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one is 2102-31-0.
What is the molecular formula of (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one?
The molecular formula of (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one is C28H47BrO.
What is the molecular weight of (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one?
The molecular weight of (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one is 478.28 g/mol.
Where can I buy (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one?
You can request a quote for (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2R,5S)-2-bromo-5,10,13-trimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.