C19H20FNS.C4H4O4
TL;DR: C19H20FNS.C4H4O4 (CAS 81890-59-7) is a chemical compound with molecular formula C23H24FNO4S and molecular weight 429.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;3-(9-fluoro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: (E)-9-Fluoro-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate, 1-Propanamine, N,N-dimethyl-3-(9-fluorodibenzo(b,e)thiepin-11(6H)-ylidene)-, (E)-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C23H24FNO4S |
|---|---|
| Molecular Weight | 429.14 g/mol |
| LogP | 4.5266 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.14102 |
| Heavy Atoms | 30 |
| Complexity | 953.42554 |
Chemical Identifiers
| CAS Number | 81890-59-7 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=C(C=C3)F.C(=CC(=O)O)C(=O)O |
Product Overview
C19H20FNS.C4H4O4 (CAS 81890-59-7), with molecular formula C23H24FNO4S and molecular weight 429.14 g/mol. IUPAC: but-2-enedioic acid;3-(9-fluoro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of C19H20FNS.C4H4O4
Property Insights of C19H20FNS.C4H4O4
The XLogP value of 4.5266 indicates that C19H20FNS.C4H4O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for C19H20FNS.C4H4O4. Following Lipinski's Rule of Five, C19H20FNS.C4H4O4 has 2 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 C19H20FNS.C4H4O4?
The CAS number of C19H20FNS.C4H4O4 is 81890-59-7.
What is the molecular formula of C19H20FNS.C4H4O4?
The molecular formula of C19H20FNS.C4H4O4 is C23H24FNO4S.
What is the molecular weight of C19H20FNS.C4H4O4?
The molecular weight of C19H20FNS.C4H4O4 is 429.14 g/mol.
Where can I buy C19H20FNS.C4H4O4?
You can request a quote for C19H20FNS.C4H4O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H20FNS.C4H4O4?
Yes, KEHONG BIO provides custom synthesis services for C19H20FNS.C4H4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.