RefChem:328207
TL;DR: RefChem:328207 (CAS 77563-04-3) is a chemical compound with molecular formula C27H34N4O9S and molecular weight 590.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine;oxalic acid
Also Known As: 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)amino-2-methoxy-benzothiazole oxalate, Benzothiazole, 2-methoxy-6-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)amino-, oxalate (1:2), 2-methoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid, 2-methoxy-n-{1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl}-1,3-benzothiazol-6-amine ethanedioate(1:2), Oxalic acid--2-methoxy-N-{1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl}-1,3-benzothiazol-6-amine (2/1)
| Molecular Formula | C27H34N4O9S |
|---|---|
| Molecular Weight | 590.20 g/mol |
| LogP | 2.28 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 590.20465 |
| Heavy Atoms | 41 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 77563-04-3 |
|---|---|
| SMILES | CC(CN1CCN(CC1)CCC2=CC=CC=C2)NC3=CC4=C(C=C3)N=C(S4)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | TWHLVJARDSJMHY-UHFFFAOYSA-N |
Product Overview
RefChem:328207 (CAS 77563-04-3), with molecular formula C27H34N4O9S and molecular weight 590.20 g/mol. IUPAC: 2-methoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine;oxalic acid.
Chemical Property Profile of RefChem:328207
Property Insights of RefChem:328207
The XLogP value of 2.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:328207. The TPSA of 218.0 Ų indicates high polarity, suggesting RefChem:328207 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:328207 has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:328207?
The CAS number of RefChem:328207 is 77563-04-3.
What is the molecular formula of RefChem:328207?
The molecular formula of RefChem:328207 is C27H34N4O9S.
What is the molecular weight of RefChem:328207?
The molecular weight of RefChem:328207 is 590.20 g/mol.
Where can I buy RefChem:328207?
You can request a quote for RefChem:328207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328207?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.