RefChem:372032
TL;DR: RefChem:372032 (CAS 58722-76-2) is a chemical compound with molecular formula C20H22ClFN2O3S2 and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-9-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: Piperazine, 1-(2-chloro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, monomethanesulfonate, 2-Chloro-7-fluoro-10-(4-methylpiperazino)dibenzo(b,f)thiepin methanesulfonate, 1-(2-Chloro-7-fluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine monomethanesulfonate, 1-(2-chloro-7-fluorodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine, 1-(3-chloro-9-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid
| Molecular Formula | C20H22ClFN2O3S2 |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 4.1932 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.07443 |
| Heavy Atoms | 29 |
| Complexity | 1028.017 |
Chemical Identifiers
| CAS Number | 58722-76-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.CS(=O)(=O)O |
Product Overview
RefChem:372032 (CAS 58722-76-2), with molecular formula C20H22ClFN2O3S2 and molecular weight 456.07 g/mol. IUPAC: 1-(3-chloro-9-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of RefChem:372032
Property Insights of RefChem:372032
The XLogP value of 4.1932 indicates that RefChem:372032 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:372032. Following Lipinski's Rule of Five, RefChem:372032 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:372032?
The CAS number of RefChem:372032 is 58722-76-2.
What is the molecular formula of RefChem:372032?
The molecular formula of RefChem:372032 is C20H22ClFN2O3S2.
What is the molecular weight of RefChem:372032?
The molecular weight of RefChem:372032 is 456.07 g/mol.
Where can I buy RefChem:372032?
You can request a quote for RefChem:372032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372032?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.