17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene
TL;DR: 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene (CAS 7548-44-9) is a chemical compound with molecular formula C22H27ClO2 and molecular weight 358.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-17-(2-chloroethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
Also Known As: BDH 2700, 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene, 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne, 21-chloro-3,17-dimethoxy-, 21-Chloro-3,17-dimethoxy-19-nor-17-alpha-pregn-1,3,5(10)-trien-20-yne, 19-Norpregna-1,3,5(10)-trien-20-yne, 21-chloro-3,17-dimethoxy-, (17-alpha)-
| Molecular Formula | C22H27ClO2 |
|---|---|
| Molecular Weight | 358.17 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.16995 |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 7548-44-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#CCl)OC)CCC4=C3C=CC(=C4)OC |
| InChIKey | CRTBVSMXTMELEJ-RPKDUVEISA-N |
Product Overview
17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene (CAS 7548-44-9), with molecular formula C22H27ClO2 and molecular weight 358.17 g/mol. IUPAC: (8R,9S,13S,14S)-17-(2-chloroethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene.
Chemical Property Profile of 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene
Property Insights of 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene
The XLogP value of 5.5 indicates that 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene?
The CAS number of 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene is 7548-44-9.
What is the molecular formula of 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene?
The molecular formula of 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene is C22H27ClO2.
What is the molecular weight of 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene?
The molecular weight of 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene is 358.17 g/mol.
Where can I buy 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene?
You can request a quote for 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene?
Yes, KEHONG BIO provides custom synthesis services for 17-alpha-Chloroethynyl-3,17-beta-dimethoxy-oestra-1,3,5(10)-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.