RefChem:371889
TL;DR: RefChem:371889 (CAS 106754-67-0) is a chemical compound with molecular formula C23H33FN2O7S3 and molecular weight 564.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-fluoro-5-piperazin-1-yl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;methanesulfonic acid
Also Known As: Piperazine, 1-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide, dimethanesulfonate, 9-fluoro-5-piperazin-1-yl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide; methanesulfonic acid, Methanesulfonic acid--7-fluoro-11-(piperazin-1-yl)-2-(propan-2-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one (2/1), RefChem:371889
| Molecular Formula | C23H33FN2O7S3 |
|---|---|
| Molecular Weight | 564.14 g/mol |
| LogP | 2.6262 |
| Topological Polar Surface Area | 141.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 564.1434 |
| Heavy Atoms | 36 |
| Complexity | 1246.7808 |
Chemical Identifiers
| CAS Number | 106754-67-0 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)S(=O)C3=C(CC2N4CCNCC4)C=CC(=C3)F.CS(=O)(=O)O.CS(=O)(=O)O |
Product Overview
RefChem:371889 (CAS 106754-67-0), with molecular formula C23H33FN2O7S3 and molecular weight 564.14 g/mol. IUPAC: 9-fluoro-5-piperazin-1-yl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;methanesulfonic acid.
Chemical Property Profile of RefChem:371889
Property Insights of RefChem:371889
The XLogP value of 2.6262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371889. The TPSA of 141.08 Ų indicates high polarity, suggesting RefChem:371889 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:371889 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:371889?
The CAS number of RefChem:371889 is 106754-67-0.
What is the molecular formula of RefChem:371889?
The molecular formula of RefChem:371889 is C23H33FN2O7S3.
What is the molecular weight of RefChem:371889?
The molecular weight of RefChem:371889 is 564.14 g/mol.
Where can I buy RefChem:371889?
You can request a quote for RefChem:371889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371889?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.