RefChem:1095908
TL;DR: RefChem:1095908 (CAS 61150-33-2) is a chemical compound with molecular formula C28H30ClFN2O9S and molecular weight 624.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-(3-chloro-9-fluoro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydro-3-fluoro-7-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-,(Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 1-(3-chloro-9-fluoro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, RefChem:1095908
| Molecular Formula | C28H30ClFN2O9S |
|---|---|
| Molecular Weight | 624.13 g/mol |
| LogP | 3.9071 |
| Topological Polar Surface Area | 164.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 624.13446 |
| Heavy Atoms | 42 |
| Complexity | 1295.131 |
Chemical Identifiers
| CAS Number | 61150-33-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=CC(=C(C=C3SC4=C(C2)C=CC(=C4)F)OC)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095908 (CAS 61150-33-2), with molecular formula C28H30ClFN2O9S and molecular weight 624.13 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-(3-chloro-9-fluoro-2-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of RefChem:1095908
Property Insights of RefChem:1095908
The XLogP value of 3.9071 indicates that RefChem:1095908 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.91 Ų indicates high polarity, suggesting RefChem:1095908 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095908 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095908?
The CAS number of RefChem:1095908 is 61150-33-2.
What is the molecular formula of RefChem:1095908?
The molecular formula of RefChem:1095908 is C28H30ClFN2O9S.
What is the molecular weight of RefChem:1095908?
The molecular weight of RefChem:1095908 is 624.13 g/mol.
Where can I buy RefChem:1095908?
You can request a quote for RefChem:1095908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095908?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.