RefChem:349318
TL;DR: RefChem:349318 (CAS 88461-84-1) is a chemical compound with molecular formula C30H34ClN3O5S and molecular weight 583.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate chloride
Also Known As: Indole-3-carboxylic acid, 5-hydroxy-2-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, ethyl ester, p-toluenesulfonate (ester), hydrochloride, ETHYL5-(4-METHYLPHENYL)SULFONYLOXY-2-[(4-METHYLPIPERAZIN-1-IUM-1-YL)METHYL]-1-PHENYLINDOLE-3-CARBOXYLATE CHLORIDE, INDOLE-3-CARBOXYLIC ACID, 5-HYDROXY-2-((4-METHYL-1-PIPERAZINYL)METHYL)-1-PHENYL-, ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate chloride, ETHYL 5-[(4-METHYLBENZENESULFONYL)OXY]-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-1-PHENYL-1H-INDOLE-3-CARBOXYLATE HYDROCHLORIDE
| Molecular Formula | C30H34ClN3O5S |
|---|---|
| Molecular Weight | 583.19 g/mol |
| LogP | 0.22 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 583.1908 |
| Heavy Atoms | 40 |
| Complexity | 904.0 |
Chemical Identifiers
| CAS Number | 88461-84-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C[NH+]5CCN(CC5)C.[Cl-] |
| InChIKey | ANPOJYICGPJFKJ-UHFFFAOYSA-N |
Product Overview
RefChem:349318 (CAS 88461-84-1), with molecular formula C30H34ClN3O5S and molecular weight 583.19 g/mol. IUPAC: ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate chloride.
Chemical Property Profile of RefChem:349318
Property Insights of RefChem:349318
The XLogP value of 0.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349318. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349318. Following Lipinski's Rule of Five, RefChem:349318 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:349318?
The CAS number of RefChem:349318 is 88461-84-1.
What is the molecular formula of RefChem:349318?
The molecular formula of RefChem:349318 is C30H34ClN3O5S.
What is the molecular weight of RefChem:349318?
The molecular weight of RefChem:349318 is 583.19 g/mol.
Where can I buy RefChem:349318?
You can request a quote for RefChem:349318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349318?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.