2,16alpha-Dihydroxyestrone 3-methyl ether
TL;DR: 2,16alpha-Dihydroxyestrone 3-methyl ether (CAS 42241-06-5) is a chemical compound with molecular formula C19H24O4 and molecular weight 316.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16R)-2,16-dihydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 2,16alpha-Dihydroxyestrone 3-methyl ether, Cid 6451846, 2,16-Dihydroxy-3-methoxyestra-1(10),2,4-trien-17-one, (8R,9S,13S,14S,16R)-2,16-dihydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, 2,16alpha-Dihydroxy-3-methoxyestra-1(10),2,4-trien-17-one
| Molecular Formula | C19H24O4 |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 2.7968 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.16745 |
| Heavy Atoms | 23 |
| Complexity | 667.5786 |
Chemical Identifiers
| CAS Number | 42241-06-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=CC(=C(C=C34)O)OC |
Product Overview
2,16alpha-Dihydroxyestrone 3-methyl ether (CAS 42241-06-5), with molecular formula C19H24O4 and molecular weight 316.17 g/mol. IUPAC: (8R,9S,13S,14S,16R)-2,16-dihydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 2,16alpha-Dihydroxyestrone 3-methyl ether
Property Insights of 2,16alpha-Dihydroxyestrone 3-methyl ether
The XLogP value of 2.7968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,16alpha-Dihydroxyestrone 3-methyl ether. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,16alpha-Dihydroxyestrone 3-methyl ether. Following Lipinski's Rule of Five, 2,16alpha-Dihydroxyestrone 3-methyl ether has 2 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 2,16alpha-Dihydroxyestrone 3-methyl ether?
The CAS number of 2,16alpha-Dihydroxyestrone 3-methyl ether is 42241-06-5.
What is the molecular formula of 2,16alpha-Dihydroxyestrone 3-methyl ether?
The molecular formula of 2,16alpha-Dihydroxyestrone 3-methyl ether is C19H24O4.
What is the molecular weight of 2,16alpha-Dihydroxyestrone 3-methyl ether?
The molecular weight of 2,16alpha-Dihydroxyestrone 3-methyl ether is 316.17 g/mol.
Where can I buy 2,16alpha-Dihydroxyestrone 3-methyl ether?
You can request a quote for 2,16alpha-Dihydroxyestrone 3-methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,16alpha-Dihydroxyestrone 3-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2,16alpha-Dihydroxyestrone 3-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.