3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
TL;DR: 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate (CAS 84-70-8) is a chemical compound with molecular formula C22H30O4 and molecular weight 358.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,16S,17R)-16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: KST-1A8540, 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate, J2.791.423C, [(8R,9S,13S,14S,16S,17R)-16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate, (16
| Molecular Formula | C22H30O4 |
|---|---|
| Molecular Weight | 358.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.21442 |
| Heavy Atoms | 26 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 84-70-8 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@]1(C)O)CCC4=C3C=CC(=C4)OC)C |
| InChIKey | AQYZEWWPIBKYCF-BTOHRNCKSA-N |
Product Overview
3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate (CAS 84-70-8), with molecular formula C22H30O4 and molecular weight 358.21 g/mol. IUPAC: [(8R,9S,13S,14S,16S,17R)-16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
Property Insights of 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
The XLogP value of 4.0 indicates that 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate has 1 hydrogen bond donor(s) and 4 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-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate?
The CAS number of 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate is 84-70-8.
What is the molecular formula of 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate?
The molecular formula of 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate is C22H30O4.
What is the molecular weight of 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate?
The molecular weight of 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate is 358.21 g/mol.
Where can I buy 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate?
You can request a quote for 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.