2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate
TL;DR: 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate (CAS 39642-60-9) is a chemical compound with molecular formula C22H32F2O2 and molecular weight 366.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4R,6S,8S,11R,12S,15S,16S)-5,5-difluoro-2,16-dimethyl-15-pentacyclo[9.7.0.02,8.04,6.012,16]octadecanyl] acetate
Also Known As: 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate, J2.793.868J, A,3, A-(difluoromethylene)-5, A-androstan-17
| Molecular Formula | C22H32F2O2 |
|---|---|
| Molecular Weight | 366.24 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.23703 |
| Heavy Atoms | 26 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 39642-60-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)C5(F)F)C)C |
| InChIKey | BRZLCOPFROJRBE-WMFBMNODSA-N |
Product Overview
2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate (CAS 39642-60-9), with molecular formula C22H32F2O2 and molecular weight 366.24 g/mol. IUPAC: [(1S,2S,4R,6S,8S,11R,12S,15S,16S)-5,5-difluoro-2,16-dimethyl-15-pentacyclo[9.7.0.02,8.04,6.012,16]octadecanyl] acetate.
Chemical Property Profile of 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate
Property Insights of 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate
The XLogP value of 6.0 indicates that 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate?
The CAS number of 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate is 39642-60-9.
What is the molecular formula of 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate?
The molecular formula of 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate is C22H32F2O2.
What is the molecular weight of 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate?
The molecular weight of 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate is 366.24 g/mol.
Where can I buy 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate?
You can request a quote for 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate?
Yes, KEHONG BIO provides custom synthesis services for 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.