C25H29ClF2O7
TL;DR: C25H29ClF2O7 (CAS 59047-08-4) is a chemical compound with molecular formula C25H29ClF2O7 and molecular weight 514.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6R,8S,9R,10S,11S,13S,14S,17R)-17-acetyloxy-2-chloro-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: KST-1A6458, 2-Chloro-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate), (6, A,11, A)-2-chloro-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate
| Molecular Formula | C25H29ClF2O7 |
|---|---|
| Molecular Weight | 514.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.157 |
| Heavy Atoms | 35 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 59047-08-4 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@H](C4=CC(=O)C(=C[C@@]43C)Cl)F)F)O)C)OC(=O)C |
| InChIKey | UMRUFBVWHMUYIH-HKXOFBAYSA-N |
Product Overview
C25H29ClF2O7 (CAS 59047-08-4), with molecular formula C25H29ClF2O7 and molecular weight 514.16 g/mol. IUPAC: [2-[(6R,8S,9R,10S,11S,13S,14S,17R)-17-acetyloxy-2-chloro-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of C25H29ClF2O7
Property Insights of C25H29ClF2O7
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C25H29ClF2O7. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H29ClF2O7. Following Lipinski's Rule of Five, C25H29ClF2O7 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H29ClF2O7?
The CAS number of C25H29ClF2O7 is 59047-08-4.
What is the molecular formula of C25H29ClF2O7?
The molecular formula of C25H29ClF2O7 is C25H29ClF2O7.
What is the molecular weight of C25H29ClF2O7?
The molecular weight of C25H29ClF2O7 is 514.16 g/mol.
Where can I buy C25H29ClF2O7?
You can request a quote for C25H29ClF2O7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H29ClF2O7?
Yes, KEHONG BIO provides custom synthesis services for C25H29ClF2O7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.