C23H27BrF2O7
TL;DR: C23H27BrF2O7 (CAS 57781-19-8) is a chemical compound with molecular formula C23H27BrF2O7 and molecular weight 532.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6R,8S,10S,11S,13S,14S,16R)-2-bromo-6,9-difluoro-11,16,17-trihydroxy-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-1A6333, (6, A,9xi,11, A,16, A,17xi)-2-bromo-6,9-difluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate
| Molecular Formula | C23H27BrF2O7 |
|---|---|
| Molecular Weight | 532.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 532.0908 |
| Heavy Atoms | 33 |
| Complexity | 997.0 |
Chemical Identifiers
| CAS Number | 57781-19-8 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2C[C@H](C4=CC(=O)C(=C[C@@]43C)Br)F)F)O)C)O)O |
| InChIKey | JAWWELAUBJOEOF-XZJXIWRJSA-N |
Product Overview
C23H27BrF2O7 (CAS 57781-19-8), with molecular formula C23H27BrF2O7 and molecular weight 532.09 g/mol. IUPAC: [2-[(6R,8S,10S,11S,13S,14S,16R)-2-bromo-6,9-difluoro-11,16,17-trihydroxy-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 C23H27BrF2O7
Property Insights of C23H27BrF2O7
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H27BrF2O7. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H27BrF2O7. Following Lipinski's Rule of Five, C23H27BrF2O7 has 3 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 C23H27BrF2O7?
The CAS number of C23H27BrF2O7 is 57781-19-8.
What is the molecular formula of C23H27BrF2O7?
The molecular formula of C23H27BrF2O7 is C23H27BrF2O7.
What is the molecular weight of C23H27BrF2O7?
The molecular weight of C23H27BrF2O7 is 532.09 g/mol.
Where can I buy C23H27BrF2O7?
You can request a quote for C23H27BrF2O7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H27BrF2O7?
Yes, KEHONG BIO provides custom synthesis services for C23H27BrF2O7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.