RefChem:268988
TL;DR: RefChem:268988 (CAS 38266-46-5) is a chemical compound with molecular formula C29H34F3N3O9S and molecular weight 657.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;[2-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]methanol
Also Known As: 3-Thiophenecarboxylicacid,4-ethyl, KST-1A4395, (2-{3-[2-(trifluoromethyl)-10h-phenothiazin-10-yl]propyl}octahydro-2h-pyrido[1,2-a]pyrazin-6-yl)methanol ethanedioate(1:2), 2H-Pyrido(1,2-a)pyrazine-6-methanol, octahydro-2-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-, maleate (1:2), (2-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)octahydro-1H-pyrido[1,2-a]pyrazin-6-yl)methanol dioxalate
| Molecular Formula | C29H34F3N3O9S |
|---|---|
| Molecular Weight | 657.20 g/mol |
| LogP | 3.5404 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 657.1968 |
| Heavy Atoms | 45 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 38266-46-5 |
|---|---|
| SMILES | C1CC2CN(CCN2C(C1)CO)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | GUUFUEASISQVQI-UHFFFAOYSA-N |
Product Overview
RefChem:268988 (CAS 38266-46-5), with molecular formula C29H34F3N3O9S and molecular weight 657.20 g/mol. IUPAC: oxalic acid;[2-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-6-yl]methanol.
Chemical Property Profile of RefChem:268988
Property Insights of RefChem:268988
The XLogP value of 3.5404 indicates that RefChem:268988 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 204.0 Ų indicates high polarity, suggesting RefChem:268988 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:268988 has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:268988?
The CAS number of RefChem:268988 is 38266-46-5.
What is the molecular formula of RefChem:268988?
The molecular formula of RefChem:268988 is C29H34F3N3O9S.
What is the molecular weight of RefChem:268988?
The molecular weight of RefChem:268988 is 657.20 g/mol.
Where can I buy RefChem:268988?
You can request a quote for RefChem:268988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268988?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.