RefChem:239111
TL;DR: RefChem:239111 (CAS 116736-23-3) is a chemical compound with molecular formula C28H30BrClN2O3S and molecular weight 588.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-(4-methylphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride
Also Known As: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-(4-methylphenyl)-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride, ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-(4-methylphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrochloride, Ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-(4-methylphenyl)-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate--hydrogen chloride (1/1), RefChem:239111
| Molecular Formula | C28H30BrClN2O3S |
|---|---|
| Molecular Weight | 588.08 g/mol |
| LogP | 7.35942 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.0849 |
| Heavy Atoms | 36 |
| Complexity | 1355.4802 |
Chemical Identifiers
| CAS Number | 116736-23-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=C(C=C3)C)CSC4=CC=CC=C4.Cl |
Product Overview
RefChem:239111 (CAS 116736-23-3), with molecular formula C28H30BrClN2O3S and molecular weight 588.08 g/mol. IUPAC: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-(4-methylphenyl)-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride.
Chemical Property Profile of RefChem:239111
Property Insights of RefChem:239111
The XLogP value of 7.35942 indicates that RefChem:239111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, RefChem:239111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239111 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:239111?
The CAS number of RefChem:239111 is 116736-23-3.
What is the molecular formula of RefChem:239111?
The molecular formula of RefChem:239111 is C28H30BrClN2O3S.
What is the molecular weight of RefChem:239111?
The molecular weight of RefChem:239111 is 588.08 g/mol.
Where can I buy RefChem:239111?
You can request a quote for RefChem:239111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239111?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.