16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate
TL;DR: 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate (CAS 1314136-07-6) is a chemical compound with molecular formula C20H23BrO3 and molecular weight 390.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9R,13S,14S,16R)-16-bromo-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate, Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-16-bromo-, (9beta,16alpha)-, Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-16-bromo-, (9I(2),16I+/-)-, [(8R,9R,13S,14S,16R)-16-bromo-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C20H23BrO3 |
|---|---|
| Molecular Weight | 390.08 g/mol |
| LogP | 4.4105 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.08307 |
| Heavy Atoms | 24 |
| Complexity | 712.8356 |
Chemical Identifiers
| CAS Number | 1314136-07-6 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)[C@@H]3CC[C@]4([C@H]([C@@H]3CC2)C[C@H](C4=O)Br)C |
Product Overview
16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate (CAS 1314136-07-6), with molecular formula C20H23BrO3 and molecular weight 390.08 g/mol. IUPAC: [(8R,9R,13S,14S,16R)-16-bromo-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate
Property Insights of 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate
The XLogP value of 4.4105 indicates that 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate has 0 hydrogen bond donor(s) and 3 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 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate?
The CAS number of 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate is 1314136-07-6.
What is the molecular formula of 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate?
The molecular formula of 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate is C20H23BrO3.
What is the molecular weight of 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate?
The molecular weight of 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate is 390.08 g/mol.
Where can I buy 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate?
You can request a quote for 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-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 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 16alpha-Bromo-17-oxo-9beta-estra-1(10),2,4-trien-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.