(16alpha)-2,4,1
TL;DR: (16alpha)-2,4,1 (CAS 79258-15-4) is a chemical compound with molecular formula C18H19Br3O2 and molecular weight 503.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-2,4,16-tribromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: (16alpha)-2,4,1, 2,4,16alpha-Tribromoestrone, 2,4,16alpha-Tribromo Estrone, 2,4,16 alpha -Tribromoestrone, NCI60_029596
| Molecular Formula | C18H19Br3O2 |
|---|---|
| Molecular Weight | 503.89 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 503.89352 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 79258-15-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC(C2=O)Br)CCC4=C(C(=C(C=C34)Br)O)Br |
| InChIKey | ADSWXPLGWUHJRG-WASBOFOPSA-N |
Product Overview
(16alpha)-2,4,1 (CAS 79258-15-4), with molecular formula C18H19Br3O2 and molecular weight 503.89 g/mol. IUPAC: (8R,9S,13S,14S)-2,4,16-tribromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of (16alpha)-2,4,1
Property Insights of (16alpha)-2,4,1
The XLogP value of 5.9 indicates that (16alpha)-2,4,1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, (16alpha)-2,4,1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (16alpha)-2,4,1 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (16alpha)-2,4,1?
The CAS number of (16alpha)-2,4,1 is 79258-15-4.
What is the molecular formula of (16alpha)-2,4,1?
The molecular formula of (16alpha)-2,4,1 is C18H19Br3O2.
What is the molecular weight of (16alpha)-2,4,1?
The molecular weight of (16alpha)-2,4,1 is 503.89 g/mol.
Where can I buy (16alpha)-2,4,1?
You can request a quote for (16alpha)-2,4,1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (16alpha)-2,4,1?
Yes, KEHONG BIO provides custom synthesis services for (16alpha)-2,4,1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.