3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one
TL;DR: 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one (CAS 26576-56-7) is a chemical compound with molecular formula C22H29NO3 and molecular weight 355.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate
Also Known As: KST-1A3301, 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one, 3-aza-17alpha-Ethynyl-17beta-acetoxy-19-nor-a-homoandrost-4a-en-4-one, Cyclopenta(5,6)naphth(1,2-d)azepin-2(3H)-one, 4,5,6,7,7a,8,9,10,10a,10b,11,12-dodecahydro-8-alpha-ethynyl-8-beta-hydroxy-7a-methyl-, acetate (ester), (5ar,5bs,7as,8r,10as,10br)-8-ethynyl-7a-methyl-2-oxo-2,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl acetate
| Molecular Formula | C22H29NO3 |
|---|---|
| Molecular Weight | 355.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.21475 |
| Heavy Atoms | 26 |
| Complexity | 716.0 |
Chemical Identifiers
| CAS Number | 26576-56-7 |
|---|---|
| SMILES | CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)NCC[C@H]34)C)C#C |
| InChIKey | ZSCLRRKLJCRKHF-YBHNGBFFSA-N |
Product Overview
3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one (CAS 26576-56-7), with molecular formula C22H29NO3 and molecular weight 355.21 g/mol. IUPAC: [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate.
Chemical Property Profile of 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one
Property Insights of 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one
The XLogP value of 3.1 indicates that 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one has 1 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-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one?
The CAS number of 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one is 26576-56-7.
What is the molecular formula of 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one?
The molecular formula of 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one is C22H29NO3.
What is the molecular weight of 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one?
The molecular weight of 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one is 355.21 g/mol.
Where can I buy 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one?
You can request a quote for 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.