RefChem:233696
TL;DR: RefChem:233696 (CAS 106754-69-2) is a chemical compound with molecular formula C23H31Cl2FN2O2S and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol;dihydrochloride
Also Known As: C23H29FN2O2S.2ClH.1/2H2O, C23-H29-F-N2-O2-S.2Cl-H.1/2H2-O, 1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, dihydrochloride, hemihydrate, 2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol dihydrochloride, 2-{4-[3-Fluoro-8-(propan-2-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-oxo-1lambda~5~-piperazin-1-yl}ethan-1-ol--hydrogen chloride (1/2)
| Molecular Formula | C23H31Cl2FN2O2S |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 5.1636 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.14673 |
| Heavy Atoms | 31 |
| Complexity | 891.87537 |
Chemical Identifiers
| CAS Number | 106754-69-2 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CC[N+](CC4)(CCO)[O-])C=CC(=C3)F.Cl.Cl |
Product Overview
RefChem:233696 (CAS 106754-69-2), with molecular formula C23H31Cl2FN2O2S and molecular weight 488.15 g/mol. IUPAC: 2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of RefChem:233696
Property Insights of RefChem:233696
The XLogP value of 5.1636 indicates that RefChem:233696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, RefChem:233696 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:233696 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:233696?
The CAS number of RefChem:233696 is 106754-69-2.
What is the molecular formula of RefChem:233696?
The molecular formula of RefChem:233696 is C23H31Cl2FN2O2S.
What is the molecular weight of RefChem:233696?
The molecular weight of RefChem:233696 is 488.15 g/mol.
Where can I buy RefChem:233696?
You can request a quote for RefChem:233696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233696?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.