RefChem:328208
TL;DR: RefChem:328208 (CAS 77563-12-3) is a chemical compound with molecular formula C30H38N4O10S and molecular weight 646.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide;oxalic acid
Also Known As: 2-Methoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)-propionamido)-benzothiazole oxalate, Benzothiazole, 2-methoxy-6-(N-(1-methyl-2-(4-phenethyl-1-piperazinyl)ethyl)-propionamido)-, oxalate (1:2), N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide; oxalic acid, BENZOTHIAZOLE, 2-METHOXY-6-(N-(1-METHYL-2-(4-PHENETHYL-1-PIPERAZINYL)ETHYL)-PROP, N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2-yl]propanamide; oxalic acid
| Molecular Formula | C30H38N4O10S |
|---|---|
| Molecular Weight | 646.23 g/mol |
| LogP | 2.61 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 646.23083 |
| Heavy Atoms | 45 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 77563-12-3 |
|---|---|
| SMILES | CCC(=O)N(C1=CC2=C(C=C1)N=C(S2)OC)C(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
| InChIKey | OCKDGFTVRHCBRM-UHFFFAOYSA-N |
Product Overview
RefChem:328208 (CAS 77563-12-3), with molecular formula C30H38N4O10S and molecular weight 646.23 g/mol. IUPAC: N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide;oxalic acid.
Chemical Property Profile of RefChem:328208
Property Insights of RefChem:328208
The XLogP value of 2.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:328208. The TPSA of 226.0 Ų indicates high polarity, suggesting RefChem:328208 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:328208 has 4 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:328208?
The CAS number of RefChem:328208 is 77563-12-3.
What is the molecular formula of RefChem:328208?
The molecular formula of RefChem:328208 is C30H38N4O10S.
What is the molecular weight of RefChem:328208?
The molecular weight of RefChem:328208 is 646.23 g/mol.
Where can I buy RefChem:328208?
You can request a quote for RefChem:328208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328208?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.