RefChem:371899
TL;DR: RefChem:371899 (CAS 76242-99-4) is a chemical compound with molecular formula C20H25FN2O3S2 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: 3-Fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin methanesulfonate, 1-(10,11-Dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine methanesulfonate, Piperazine, 1-(10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate, 1-(2-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid, Methanesulfonic acid--1-(7-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (1/1)
| Molecular Formula | C20H25FN2O3S2 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 3.3255 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 424.12906 |
| Heavy Atoms | 28 |
| Complexity | 920.7981 |
Chemical Identifiers
| CAS Number | 76242-99-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=CC(=C4)F.CS(=O)(=O)O |
Product Overview
RefChem:371899 (CAS 76242-99-4), with molecular formula C20H25FN2O3S2 and molecular weight 424.13 g/mol. IUPAC: 1-(2-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of RefChem:371899
Property Insights of RefChem:371899
The XLogP value of 3.3255 indicates that RefChem:371899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371899. Following Lipinski's Rule of Five, RefChem:371899 has 1 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 RefChem:371899?
The CAS number of RefChem:371899 is 76242-99-4.
What is the molecular formula of RefChem:371899?
The molecular formula of RefChem:371899 is C20H25FN2O3S2.
What is the molecular weight of RefChem:371899?
The molecular weight of RefChem:371899 is 424.13 g/mol.
Where can I buy RefChem:371899?
You can request a quote for RefChem:371899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371899?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.