RefChem:1076746
TL;DR: RefChem:1076746 (CAS 73149-99-2) is a chemical compound with molecular formula C20H24INS and molecular weight 437.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethylazanium iodide
Also Known As: Ammonium, (3-(dibenzo(b,e)thiepin-11(6H)-ylidene)propyl)trimethyl-, iodide, trans-, trans-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propyltrimethylammonium iodide, 1-Propanaminium, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-N,N,N-trimethyl-, iodide, (E)-, [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethylazanium iodide, RefChem:1076746
| Molecular Formula | C20H24INS |
|---|---|
| Molecular Weight | 437.07 g/mol |
| LogP | 1.8243 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.0674 |
| Heavy Atoms | 23 |
| Complexity | 651.283 |
Chemical Identifiers
| CAS Number | 73149-99-2 |
|---|---|
| SMILES | C[N+](C)(C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31.[I-] |
Product Overview
RefChem:1076746 (CAS 73149-99-2), with molecular formula C20H24INS and molecular weight 437.07 g/mol. IUPAC: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-trimethylazanium iodide.
Chemical Property Profile of RefChem:1076746
Property Insights of RefChem:1076746
The XLogP value of 1.8243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1076746. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:1076746 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1076746 has 0 hydrogen bond donor(s) and 1 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:1076746?
The CAS number of RefChem:1076746 is 73149-99-2.
What is the molecular formula of RefChem:1076746?
The molecular formula of RefChem:1076746 is C20H24INS.
What is the molecular weight of RefChem:1076746?
The molecular weight of RefChem:1076746 is 437.07 g/mol.
Where can I buy RefChem:1076746?
You can request a quote for RefChem:1076746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076746?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.