ChemDiv1_002507
TL;DR: ChemDiv1_002507 (CAS 294876-26-9) is a chemical compound with molecular formula C25H31N3O3S and molecular weight 453.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-(phenylsulfanylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_002507, A1678/0071620, ethyl 5-hydroxy-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate, 5-Hydroxy-1-methyl-4-(4-methyl-piperazin-1-ylmethyl)-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester, ethyl 5-hydroxy-1-methyl-4-((4-methylpiperazin-1-yl)methyl)-2-((phenylthio)methyl)-1H-indole-3-carboxylate
| Molecular Formula | C25H31N3O3S |
|---|---|
| Molecular Weight | 453.21 g/mol |
| LogP | 4.1003 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.20862 |
| Heavy Atoms | 32 |
| Complexity | 1089.0004 |
Chemical Identifiers
| CAS Number | 294876-26-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3CCN(CC3)C)C)CSC4=CC=CC=C4 |
Product Overview
ChemDiv1_002507 (CAS 294876-26-9), with molecular formula C25H31N3O3S and molecular weight 453.21 g/mol. IUPAC: ethyl 5-hydroxy-1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-2-(phenylsulfanylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_002507
Property Insights of ChemDiv1_002507
The XLogP value of 4.1003 indicates that ChemDiv1_002507 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, ChemDiv1_002507 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002507 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002507?
The CAS number of ChemDiv1_002507 is 294876-26-9.
What is the molecular formula of ChemDiv1_002507?
The molecular formula of ChemDiv1_002507 is C25H31N3O3S.
What is the molecular weight of ChemDiv1_002507?
The molecular weight of ChemDiv1_002507 is 453.21 g/mol.
Where can I buy ChemDiv1_002507?
You can request a quote for ChemDiv1_002507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002507?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.