C2HF3O2.C17H17NO3.1/4H2O
TL;DR: C2HF3O2.C17H17NO3.1/4H2O (CAS 75370-52-4) is a chemical compound with molecular formula C19H18F3NO5 and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.01,12.02,7]heptadeca-2(7),3,5,12,15-pentaen-14-one;2,2,2-trifluoroacetic acid
Also Known As: C2HF3O2.C17H17NO3.1/4H2O, C2-H-F3-O2.C17-H17-N-O3.1/4H2-O, Acetic acid, trifluoro-, compd. with (+-)-5,6,7,8-tetrahydro-10-hydroxy-2-methoxy-3H-7,12b-methanodibenz(c,e)azocin-3-one hydrate (4:4:1), 5-Hydroxy-15-methoxy-10-azatetracyclo[7.7.1.01,12.02,7]heptadeca-2(7),3,5,12,15-pentaen-14-one;2,2,2-trifluoroacetic acid, ACETIC ACID TRIFLUORO-,COMPD. WITH (+-)-5,6,7,8-TETRAHYDRO-10-HYDROXY-2-METHOXY-3H-7,12B-METHANODIBENZ(C,E)AZOCIN-3-ONE HYDRATE (4:4:1)
| Molecular Formula | C19H18F3NO5 |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.2207 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.1137 |
| Heavy Atoms | 28 |
| Complexity | 890.04553 |
Chemical Identifiers
| CAS Number | 75370-52-4 |
|---|---|
| SMILES | COC1=CC23CC(CC4=C2C=CC(=C4)O)NCC3=CC1=O.C(=O)(C(F)(F)F)O |
Product Overview
C2HF3O2.C17H17NO3.1/4H2O (CAS 75370-52-4), with molecular formula C19H18F3NO5 and molecular weight 397.11 g/mol. IUPAC: 5-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.01,12.02,7]heptadeca-2(7),3,5,12,15-pentaen-14-one;2,2,2-trifluoroacetic acid.
Chemical Property Profile of C2HF3O2.C17H17NO3.1/4H2O
Property Insights of C2HF3O2.C17H17NO3.1/4H2O
The XLogP value of 2.2207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C2HF3O2.C17H17NO3.1/4H2O. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for C2HF3O2.C17H17NO3.1/4H2O. Following Lipinski's Rule of Five, C2HF3O2.C17H17NO3.1/4H2O has 3 hydrogen bond donor(s) and 5 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 C2HF3O2.C17H17NO3.1/4H2O?
The CAS number of C2HF3O2.C17H17NO3.1/4H2O is 75370-52-4.
What is the molecular formula of C2HF3O2.C17H17NO3.1/4H2O?
The molecular formula of C2HF3O2.C17H17NO3.1/4H2O is C19H18F3NO5.
What is the molecular weight of C2HF3O2.C17H17NO3.1/4H2O?
The molecular weight of C2HF3O2.C17H17NO3.1/4H2O is 397.11 g/mol.
Where can I buy C2HF3O2.C17H17NO3.1/4H2O?
You can request a quote for C2HF3O2.C17H17NO3.1/4H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C2HF3O2.C17H17NO3.1/4H2O?
Yes, KEHONG BIO provides custom synthesis services for C2HF3O2.C17H17NO3.1/4H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.