21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne
TL;DR: 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne (CAS 7548-46-1) is a chemical compound with molecular formula C22H27BrO2 and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-17-(2-bromoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene
Also Known As: BDH 6140, 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne, 19-Norpregna-1,3,5(10)-trien-20-yne, 21-bromo-3,17-dimethoxy-, (17-alpha)-, 19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne, 21-bromo-3,17-dimethoxy-, 21-Bromo-3,17-dimethoxy-19-norpregna-1(10),2,4-trien-20-yne
| Molecular Formula | C22H27BrO2 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.11945 |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 7548-46-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#CBr)OC)CCC4=C3C=CC(=C4)OC |
| InChIKey | PAAJJNWRSCPYBM-RPKDUVEISA-N |
Product Overview
21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne (CAS 7548-46-1), with molecular formula C22H27BrO2 and molecular weight 402.12 g/mol. IUPAC: (8R,9S,13S,14S)-17-(2-bromoethynyl)-3,17-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene.
Chemical Property Profile of 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne
Property Insights of 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne
The XLogP value of 5.6 indicates that 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne 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 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne?
The CAS number of 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne is 7548-46-1.
What is the molecular formula of 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne?
The molecular formula of 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne is C22H27BrO2.
What is the molecular weight of 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne?
The molecular weight of 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne is 402.12 g/mol.
Where can I buy 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne?
You can request a quote for 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne?
Yes, KEHONG BIO provides custom synthesis services for 21-Bromo-3,17-dimethoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.