RefChem:328205
TL;DR: RefChem:328205 (CAS 77563-08-7) is a chemical compound with molecular formula C29H38N4O9S and molecular weight 618.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine
Also Known As: 6-(1-Methyl-2-(4-phenethylpiperazino)ethyl)-amino-2-isopropoxy-benzothiazole oxalate hydrate, Benzothiazole, 2-isopropoxy-6-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)-amino-, oxalate, hydrate (2:4:1), oxalic acid,6-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-y, BENZOTHIAZOLE, 2-ISOPROPOXY-6-(1-METHYL-2-(4-PHENETHYL-1-PIPERAZINYL)ETHYL)-AMIN, oxalic acid,6-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-4-amine,hydrate
| Molecular Formula | C29H38N4O9S |
|---|---|
| Molecular Weight | 618.24 g/mol |
| LogP | 3.06 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 618.23596 |
| Heavy Atoms | 43 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 77563-08-7 |
|---|---|
| SMILES | CC(C)OC1=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 | VWLOTHYKWJTXOV-UHFFFAOYSA-N |
Product Overview
RefChem:328205 (CAS 77563-08-7), with molecular formula C29H38N4O9S and molecular weight 618.24 g/mol. IUPAC: oxalic acid;N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine.
Chemical Property Profile of RefChem:328205
Property Insights of RefChem:328205
The XLogP value of 3.06 indicates that RefChem:328205 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 218.0 Ų indicates high polarity, suggesting RefChem:328205 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:328205 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:328205?
The CAS number of RefChem:328205 is 77563-08-7.
What is the molecular formula of RefChem:328205?
The molecular formula of RefChem:328205 is C29H38N4O9S.
What is the molecular weight of RefChem:328205?
The molecular weight of RefChem:328205 is 618.24 g/mol.
Where can I buy RefChem:328205?
You can request a quote for RefChem:328205 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328205?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328205 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.