(3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol
TL;DR: (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol (CAS 21466-08-0) is a chemical compound with molecular formula C20H28O2 and molecular weight 300.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 3alpha-Hydroxynorethynodrel, 3-alpha-Hydroxynorethynodrel, 3.alpha.-Hydroxynorethynodrel, 17alpha-Ethynylestr-5(10)-ene-3alpha,17beta-diol, SID:53788899
| Molecular Formula | C20H28O2 |
|---|---|
| Molecular Weight | 300.21 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.20892 |
| Heavy Atoms | 22 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 21466-08-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CC[C@H](C4)O |
| InChIKey | XSQAQKNJHGGMRV-KXMHTTHWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol (CAS 21466-08-0), with molecular formula C20H28O2 and molecular weight 300.21 g/mol. IUPAC: (3R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol
Property Insights of (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol. With a topological polar surface area (TPSA) of 40.5 Ų, (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-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 (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol?
The CAS number of (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol is 21466-08-0.
What is the molecular formula of (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol?
The molecular formula of (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol is C20H28O2.
What is the molecular weight of (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol?
The molecular weight of (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol is 300.21 g/mol.
Where can I buy (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol?
You can request a quote for (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,17alpha)-19-Norpregn-5(10)-en-20-yne-3,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.