CID 95617
TL;DR: CID 95617 (CAS 53649-14-2) is a chemical compound with molecular formula C20H33FO3 and molecular weight 340.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
Also Known As: 9-Fluoro-17-methylandrostane-3,11,17-triol, (3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol, 9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha,11beta,17-triol, Androstane-3,11,17-triol, 9-fluoro-17-methyl-, (3alpha,5beta,11beta,17beta)-, Androstane-3,11,17-triol,9-fluoro-17-methyl-, (3a,5b,11b,17b)- (9CI)
| Molecular Formula | C20H33FO3 |
|---|---|
| Molecular Weight | 340.24 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 340.24136 |
| Heavy Atoms | 24 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 53649-14-2 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F)O |
| InChIKey | XKASGEXHNLDQIB-UHFFFAOYSA-N |
Product Overview
CID 95617 (CAS 53649-14-2), with molecular formula C20H33FO3 and molecular weight 340.24 g/mol. IUPAC: 9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol.
Chemical Property Profile of CID 95617
Property Insights of CID 95617
The XLogP value of 3.0 indicates that CID 95617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CID 95617. Following Lipinski's Rule of Five, CID 95617 has 3 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 CID 95617?
The CAS number of CID 95617 is 53649-14-2.
What is the molecular formula of CID 95617?
The molecular formula of CID 95617 is C20H33FO3.
What is the molecular weight of CID 95617?
The molecular weight of CID 95617 is 340.24 g/mol.
Where can I buy CID 95617?
You can request a quote for CID 95617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CID 95617?
Yes, KEHONG BIO provides custom synthesis services for CID 95617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.