ChemDiv1_017771
TL;DR: ChemDiv1_017771 (CAS 337311-95-2) is a chemical compound with molecular formula C25H22BrNO3S and molecular weight 495.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_017771, A1916/0080549, ethyl 6-bromo-5-methoxy-1-phenyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
| Molecular Formula | C25H22BrNO3S |
|---|---|
| Molecular Weight | 495.05 g/mol |
| LogP | 6.8706 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.05038 |
| Heavy Atoms | 31 |
| Complexity | 1206.1545 |
Chemical Identifiers
| CAS Number | 337311-95-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CSC4=CC=CC=C4 |
Product Overview
ChemDiv1_017771 (CAS 337311-95-2), with molecular formula C25H22BrNO3S and molecular weight 495.05 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_017771
Property Insights of ChemDiv1_017771
The XLogP value of 6.8706 indicates that ChemDiv1_017771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, ChemDiv1_017771 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_017771 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_017771?
The CAS number of ChemDiv1_017771 is 337311-95-2.
What is the molecular formula of ChemDiv1_017771?
The molecular formula of ChemDiv1_017771 is C25H22BrNO3S.
What is the molecular weight of ChemDiv1_017771?
The molecular weight of ChemDiv1_017771 is 495.05 g/mol.
Where can I buy ChemDiv1_017771?
You can request a quote for ChemDiv1_017771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017771?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.