17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol
TL;DR: 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol (CAS 1986-48-7) is a chemical compound with molecular formula C23H26O2 and molecular weight 334.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-17-buta-1,3-diynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Also Known As: ESTRA-1,3,5(10)-TRIEN-17-beta-OL, 17-alpha-BUTADIYNYL-3-METHOXY-, 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol, 17-alpha-Butadiynyl-3-methoxyestra-1,3,5(10)-trien-17-beta-ol, 17-alpha-Butadiynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene, 17-BUTADIYNYL-3-METHOXY-ESTRA-1,3,5(10)-TRIEN-17.BETA.-OL
| Molecular Formula | C23H26O2 |
|---|---|
| Molecular Weight | 334.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.19327 |
| Heavy Atoms | 25 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 1986-48-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CC#C)O)CCC4=C3C=CC(=C4)OC |
| InChIKey | KCPKOXKPGXIJGK-VROINQGHSA-N |
Product Overview
17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol (CAS 1986-48-7), with molecular formula C23H26O2 and molecular weight 334.19 g/mol. IUPAC: (8R,9S,13S,14S,17S)-17-buta-1,3-diynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol.
Chemical Property Profile of 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol
Property Insights of 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol
The XLogP value of 4.4 indicates that 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol has 1 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 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol?
The CAS number of 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol is 1986-48-7.
What is the molecular formula of 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol?
The molecular formula of 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol is C23H26O2.
What is the molecular weight of 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol?
The molecular weight of 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol is 334.19 g/mol.
Where can I buy 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol?
You can request a quote for 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol?
Yes, KEHONG BIO provides custom synthesis services for 17-Butadiynyl-3-methoxy-estra-1,3,5(10)-trien-17beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.