C25H31FO9
TL;DR: C25H31FO9 (CAS 29593-56-4) is a chemical compound with molecular formula C25H31FO9 and molecular weight 494.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid
Also Known As: 4-[(9-fluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid, 4-[2-(9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethoxy]-4-oxo-butanoic acid, 4-[2-(9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid, 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate), 9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione mono(hydrogen succinate)
| Molecular Formula | C25H31FO9 |
|---|---|
| Molecular Weight | 494.20 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.19522 |
| Heavy Atoms | 35 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 29593-56-4 |
|---|---|
| SMILES | CC12CC(C3(C(C1CC(C2(C(=O)COC(=O)CCC(=O)O)O)O)CCC4=CC(=O)C=CC43C)F)O |
| InChIKey | LANLTRZXAVUOPI-UHFFFAOYSA-N |
Product Overview
C25H31FO9 (CAS 29593-56-4), with molecular formula C25H31FO9 and molecular weight 494.20 g/mol. IUPAC: 4-[2-(9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4-oxobutanoic acid.
Chemical Property Profile of C25H31FO9
Property Insights of C25H31FO9
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C25H31FO9. The TPSA of 158.0 Ų indicates high polarity, suggesting C25H31FO9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C25H31FO9 has 4 hydrogen bond donor(s) and 10 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 C25H31FO9?
The CAS number of C25H31FO9 is 29593-56-4.
What is the molecular formula of C25H31FO9?
The molecular formula of C25H31FO9 is C25H31FO9.
What is the molecular weight of C25H31FO9?
The molecular weight of C25H31FO9 is 494.20 g/mol.
Where can I buy C25H31FO9?
You can request a quote for C25H31FO9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H31FO9?
Yes, KEHONG BIO provides custom synthesis services for C25H31FO9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.