RefChem:372766
TL;DR: RefChem:372766 (CAS 43183-04-6) is a chemical compound with molecular formula C20H24BrIN2S and molecular weight 529.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethylpiperazin-1-ium iodide
Also Known As: 4-(8-Bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1,1-dimethylpiperazinium iodide, 1,1-Dimethyl-4-(8-bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)piperazinium iodide, Piperazinium, 4-(8-bromo-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1,1-dimethyl-, iodide, 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethylpiperazin-1-ium iodide, 4-(8-bromo-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1,1-dimethylpiperazin-1-ium iodide
| Molecular Formula | C20H24BrIN2S |
|---|---|
| Molecular Weight | 529.99 g/mol |
| LogP | 1.5935 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 529.98883 |
| Heavy Atoms | 25 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 43183-04-6 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Br)C.[I-] |
| InChIKey | SBONVWRQQYNGDD-UHFFFAOYSA-M |
Product Overview
RefChem:372766 (CAS 43183-04-6), with molecular formula C20H24BrIN2S and molecular weight 529.99 g/mol. IUPAC: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethylpiperazin-1-ium iodide.
Chemical Property Profile of RefChem:372766
Property Insights of RefChem:372766
The XLogP value of 1.5935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:372766. With a topological polar surface area (TPSA) of 28.5 Ų, RefChem:372766 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:372766 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:372766?
The CAS number of RefChem:372766 is 43183-04-6.
What is the molecular formula of RefChem:372766?
The molecular formula of RefChem:372766 is C20H24BrIN2S.
What is the molecular weight of RefChem:372766?
The molecular weight of RefChem:372766 is 529.99 g/mol.
Where can I buy RefChem:372766?
You can request a quote for RefChem:372766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372766?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.