RefChem:328204
TL;DR: RefChem:328204 (CAS 77563-10-1) is a chemical compound with molecular formula C30H40N4O9S and molecular weight 632.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxy-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-n-butoxy-benzothiazole oxalate hydrate, Benzothiazole, 2-butoxy-6-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)-amino-, oxalate, hydrate (1:2:1), 2-Butoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid, BENZOTHIAZOLE, 2-BUTOXY-6-(1-METHYL-2-(4-PHENETHYL-1-PIPERAZINYL)ETHYL)-AMINO-,, 2-butoxy-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]-1,3-benzothiazol-6-amine; oxalic acid
| Molecular Formula | C30H40N4O9S |
|---|---|
| Molecular Weight | 632.25 g/mol |
| LogP | 3.45 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 632.2516 |
| Heavy Atoms | 44 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 77563-10-1 |
|---|---|
| SMILES | CCCCOC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | XKLOADGVLRULGI-UHFFFAOYSA-N |
Product Overview
RefChem:328204 (CAS 77563-10-1), with molecular formula C30H40N4O9S and molecular weight 632.25 g/mol. IUPAC: 2-butoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine;oxalic acid.
Chemical Property Profile of RefChem:328204
Property Insights of RefChem:328204
The XLogP value of 3.45 indicates that RefChem:328204 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 218.0 Ų indicates high polarity, suggesting RefChem:328204 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:328204 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:328204?
The CAS number of RefChem:328204 is 77563-10-1.
What is the molecular formula of RefChem:328204?
The molecular formula of RefChem:328204 is C30H40N4O9S.
What is the molecular weight of RefChem:328204?
The molecular weight of RefChem:328204 is 632.25 g/mol.
Where can I buy RefChem:328204?
You can request a quote for RefChem:328204 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328204?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328204 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.