RefChem:1083319
TL;DR: RefChem:1083319 (CAS 16675-29-9) is a chemical compound with molecular formula C23H23F2NO4S and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z)-3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 3,8-Difluoro-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin fumarate, Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, 3,8-difluoro-N,N-dimethyl-, fumarate (1:1), DIBENZO(b,e)THIEPIN-delta(sup 11(6H),gamma)-PROPYLAMINE, 3,8-DIFLUORO-N,N-DIMETH, [(3Z)-3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate, RefChem:1083319
| Molecular Formula | C23H23F2NO4S |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 1.9139 |
| Topological Polar Surface Area | 81.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.1316 |
| Heavy Atoms | 31 |
| Complexity | 947.1312 |
Chemical Identifiers
| CAS Number | 16675-29-9 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=C(CSC3=C1C=CC(=C3)F)C=C(C=C2)F.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1083319 (CAS 16675-29-9), with molecular formula C23H23F2NO4S and molecular weight 447.13 g/mol. IUPAC: [(3Z)-3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1083319
Property Insights of RefChem:1083319
The XLogP value of 1.9139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083319. The TPSA of 81.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083319. Following Lipinski's Rule of Five, RefChem:1083319 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 RefChem:1083319?
The CAS number of RefChem:1083319 is 16675-29-9.
What is the molecular formula of RefChem:1083319?
The molecular formula of RefChem:1083319 is C23H23F2NO4S.
What is the molecular weight of RefChem:1083319?
The molecular weight of RefChem:1083319 is 447.13 g/mol.
Where can I buy RefChem:1083319?
You can request a quote for RefChem:1083319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083319?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.