3-Methoxyestra-5(10),6,8-trien-17-yl acetate
TL;DR: 3-Methoxyestra-5(10),6,8-trien-17-yl acetate (CAS 56771-80-3) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxy-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
Also Known As: 3-Methoxyestra-5(10),6,8-trien-17-yl acetate, 3-Methoxyestra-5(10),6,8-trien-17-yl acetate #, 1H-Cyclopenta[a]phenanthren-17-ol, 2,3,4,11,12,13,14,15,16,17-decahydro-3-methoxy-13-methyl-, acetate, 2,3,4,11,12,13,14,15,16,17-Decahydro-3-methoxy-13-methyl-1H-cyclopenta[a]phenanthren-17-ol acetate, (3-methoxy-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
| Molecular Formula | C21H28O3 |
|---|---|
| Molecular Weight | 328.20 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.20386 |
| Heavy Atoms | 24 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 56771-80-3 |
|---|---|
| SMILES | CC(=O)OC1CCC2C1(CCC3=C2C=CC4=C3CCC(C4)OC)C |
| InChIKey | LTKHKJGUZGBAPQ-UHFFFAOYSA-N |
Product Overview
3-Methoxyestra-5(10),6,8-trien-17-yl acetate (CAS 56771-80-3), with molecular formula C21H28O3 and molecular weight 328.20 g/mol. IUPAC: (3-methoxy-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate.
Chemical Property Profile of 3-Methoxyestra-5(10),6,8-trien-17-yl acetate
Property Insights of 3-Methoxyestra-5(10),6,8-trien-17-yl acetate
The XLogP value of 4.0 indicates that 3-Methoxyestra-5(10),6,8-trien-17-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methoxyestra-5(10),6,8-trien-17-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyestra-5(10),6,8-trien-17-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 3-Methoxyestra-5(10),6,8-trien-17-yl acetate?
The CAS number of 3-Methoxyestra-5(10),6,8-trien-17-yl acetate is 56771-80-3.
What is the molecular formula of 3-Methoxyestra-5(10),6,8-trien-17-yl acetate?
The molecular formula of 3-Methoxyestra-5(10),6,8-trien-17-yl acetate is C21H28O3.
What is the molecular weight of 3-Methoxyestra-5(10),6,8-trien-17-yl acetate?
The molecular weight of 3-Methoxyestra-5(10),6,8-trien-17-yl acetate is 328.20 g/mol.
Where can I buy 3-Methoxyestra-5(10),6,8-trien-17-yl acetate?
You can request a quote for 3-Methoxyestra-5(10),6,8-trien-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyestra-5(10),6,8-trien-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyestra-5(10),6,8-trien-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.