8-Azaethynylestradiol
TL;DR: 8-Azaethynylestradiol (CAS 39650-18-5) is a chemical compound with molecular formula C19H23NO2 and molecular weight 297.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,11R,14R,15S)-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-triene-5,14-diol
Also Known As: 8-Azaethynylestradiol, 8-aza-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol,(17, A)-, (1R,11R,14R,15S)-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-triene-5,14-diol, 8-Aza-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-
| Molecular Formula | C19H23NO2 |
|---|---|
| Molecular Weight | 297.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.17288 |
| Heavy Atoms | 22 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 39650-18-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3C4=C(CCN3[C@@H]1CC[C@]2(C#C)O)C=C(C=C4)O |
| InChIKey | LHEZGWXGSLMXDB-YRXWBPOGSA-N |
Product Overview
8-Azaethynylestradiol (CAS 39650-18-5), with molecular formula C19H23NO2 and molecular weight 297.17 g/mol. IUPAC: (1R,11R,14R,15S)-14-ethynyl-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-triene-5,14-diol.
Chemical Property Profile of 8-Azaethynylestradiol
Property Insights of 8-Azaethynylestradiol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Azaethynylestradiol. With a topological polar surface area (TPSA) of 43.7 Ų, 8-Azaethynylestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Azaethynylestradiol has 2 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 8-Azaethynylestradiol?
The CAS number of 8-Azaethynylestradiol is 39650-18-5.
What is the molecular formula of 8-Azaethynylestradiol?
The molecular formula of 8-Azaethynylestradiol is C19H23NO2.
What is the molecular weight of 8-Azaethynylestradiol?
The molecular weight of 8-Azaethynylestradiol is 297.17 g/mol.
Where can I buy 8-Azaethynylestradiol?
You can request a quote for 8-Azaethynylestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Azaethynylestradiol?
Yes, KEHONG BIO provides custom synthesis services for 8-Azaethynylestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.