2,4-Dibromo Estrone
TL;DR: 2,4-Dibromo Estrone (CAS 60788-62-7) is a chemical compound with molecular formula C18H20Br2O2 and molecular weight 425.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-2,4-dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 2,4-Dibromo Estrone, 2,4-Dibromoestrone, Nilestriol Impurity 3, 2,3,5(10)-trien-3-ol-17-one, NCI60_029597
| Molecular Formula | C18H20Br2O2 |
|---|---|
| Molecular Weight | 425.98 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 425.983 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 60788-62-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)Br)O)Br |
| InChIKey | HEWYVIICKQEYPO-HIONPOMWSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dibromo Estrone (CAS 60788-62-7), with molecular formula C18H20Br2O2 and molecular weight 425.98 g/mol. IUPAC: (8R,9S,13S,14S)-2,4-dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 2,4-Dibromo Estrone
Property Insights of 2,4-Dibromo Estrone
The XLogP value of 4.5 indicates that 2,4-Dibromo Estrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4-Dibromo Estrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dibromo Estrone has 1 hydrogen bond donor(s) and 2 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 2,4-Dibromo Estrone?
The CAS number of 2,4-Dibromo Estrone is 60788-62-7.
What is the molecular formula of 2,4-Dibromo Estrone?
The molecular formula of 2,4-Dibromo Estrone is C18H20Br2O2.
What is the molecular weight of 2,4-Dibromo Estrone?
The molecular weight of 2,4-Dibromo Estrone is 425.98 g/mol.
Where can I buy 2,4-Dibromo Estrone?
You can request a quote for 2,4-Dibromo Estrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dibromo Estrone?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dibromo Estrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.