4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol
TL;DR: 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol (CAS 21080-09-1) is a chemical compound with molecular formula C21H26O2 and molecular weight 310.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,11S,13S,14S)-17-ethynyl-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-11,17-diol
Also Known As: KST-1A2645, 11beta-Methyl-17alpha-ethinylestradiol, 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol, (11, A,17xi)-4,9-cyclo-9,10-secopregna-1,3,5(10)-trien-20-yne-11,17-diol
| Molecular Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.19327 |
| Heavy Atoms | 23 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 21080-09-1 |
|---|---|
| SMILES | CC1=C2CC[C@H]3[C@@H]4CCC([C@]4(C[C@@H]([C@@H]3C2=CC=C1)O)C)(C#C)O |
| InChIKey | PWBBFICMWVYNPH-OBFNCUKESA-N |
Product Overview
4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol (CAS 21080-09-1), with molecular formula C21H26O2 and molecular weight 310.19 g/mol. IUPAC: (8S,9S,11S,13S,14S)-17-ethynyl-4,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-11,17-diol.
Chemical Property Profile of 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol
Property Insights of 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol
The XLogP value of 3.4 indicates that 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol has 2 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 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol?
The CAS number of 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol is 21080-09-1.
What is the molecular formula of 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol?
The molecular formula of 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol is C21H26O2.
What is the molecular weight of 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol?
The molecular weight of 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol is 310.19 g/mol.
Where can I buy 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol?
You can request a quote for 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-11beta,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.