Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one
TL;DR: Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one (CAS 33300-19-5) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13S,17R)-17-hydroxy-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-carbonitrile
Also Known As: Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one
| Molecular Formula | C21H27NO3 |
|---|---|
| Molecular Weight | 341.20 g/mol |
| LogP | 3.62108 |
| Topological Polar Surface Area | 62.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 341.1991 |
| Heavy Atoms | 25 |
| Complexity | 711.143 |
Chemical Identifiers
| CAS Number | 33300-19-5 |
|---|---|
| SMILES | C[C@]12CC=C3C(C1CC[C@@]2(C#N)O)CCC4=C3CCC5(C4)OCCO5 |
Product Overview
Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one (CAS 33300-19-5), with molecular formula C21H27NO3 and molecular weight 341.20 g/mol. IUPAC: (13S,17R)-17-hydroxy-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-carbonitrile.
Chemical Property Profile of Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one
Property Insights of Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one
The XLogP value of 3.62108 indicates that Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one. Following Lipinski's Rule of Five, Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one has 1 hydrogen bond donor(s) and 4 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 Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one?
The CAS number of Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one is 33300-19-5.
What is the molecular formula of Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one?
The molecular formula of Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one is C21H27NO3.
What is the molecular weight of Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one?
The molecular weight of Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one is 341.20 g/mol.
Where can I buy Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one?
You can request a quote for Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for Cyclic-3-(1,2-ethanediylacetal)-17beta-cyano-17alpha-hydroxy-estra-5(10),9(11)-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.