19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate
TL;DR: 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate (CAS 101858-17-7) is a chemical compound with molecular formula C24H32O4 and molecular weight 384.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,13S,14S)-17-acetyloxy-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate, (17xi)-3beta-19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate, 19-Nor-17-alpha-pregn-5(10)-en-20-yne-3,17-beta-diol, diacetate, [(3S,8R,9S,13S,14S)-17-acetyloxy-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C24H32O4 |
|---|---|
| Molecular Weight | 384.23 g/mol |
| LogP | 4.57 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.23007 |
| Heavy Atoms | 28 |
| Complexity | 759.05707 |
Chemical Identifiers
| CAS Number | 101858-17-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCC2=C(C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4(C#C)OC(=O)C)C |
Product Overview
19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate (CAS 101858-17-7), with molecular formula C24H32O4 and molecular weight 384.23 g/mol. IUPAC: [(3S,8R,9S,13S,14S)-17-acetyloxy-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate
Property Insights of 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate
The XLogP value of 4.57 indicates that 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate has 0 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 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate?
The CAS number of 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate is 101858-17-7.
What is the molecular formula of 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate?
The molecular formula of 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate is C24H32O4.
What is the molecular weight of 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate?
The molecular weight of 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate is 384.23 g/mol.
Where can I buy 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate?
You can request a quote for 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 19-Norpregn-5(10)-en-20-yne-3,17-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.