1-Methyl-6-dehydroestrone
TL;DR: 1-Methyl-6-dehydroestrone (CAS 6967-06-2) is a chemical compound with molecular formula C19H22O2 and molecular weight 282.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-3-hydroxy-1,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one
Also Known As: 1-Methyl-6-dehydroestrone, delta6,7-1-Methylestrone, .DELTA.6,7-1-METHYLESTRONE, 3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one, Estra-1,3,5(10),6-tetraen-17-one, 3-hydroxy-1-methyl-
| Molecular Formula | C19H22O2 |
|---|---|
| Molecular Weight | 282.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.162 |
| Heavy Atoms | 21 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 6967-06-2 |
|---|---|
| SMILES | CC1=CC(=CC2=C1[C@H]3CC[C@]4([C@H]([C@@H]3C=C2)CCC4=O)C)O |
| InChIKey | KRCRSBUGDLOMGX-DRMAHVMPSA-N |
Product Overview
1-Methyl-6-dehydroestrone (CAS 6967-06-2), with molecular formula C19H22O2 and molecular weight 282.16 g/mol. IUPAC: (8R,9S,13S,14S)-3-hydroxy-1,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 1-Methyl-6-dehydroestrone
Property Insights of 1-Methyl-6-dehydroestrone
The XLogP value of 3.7 indicates that 1-Methyl-6-dehydroestrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Methyl-6-dehydroestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-6-dehydroestrone 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 1-Methyl-6-dehydroestrone?
The CAS number of 1-Methyl-6-dehydroestrone is 6967-06-2.
What is the molecular formula of 1-Methyl-6-dehydroestrone?
The molecular formula of 1-Methyl-6-dehydroestrone is C19H22O2.
What is the molecular weight of 1-Methyl-6-dehydroestrone?
The molecular weight of 1-Methyl-6-dehydroestrone is 282.16 g/mol.
Where can I buy 1-Methyl-6-dehydroestrone?
You can request a quote for 1-Methyl-6-dehydroestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-6-dehydroestrone?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-6-dehydroestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.