ChemDiv1_018003
TL;DR: ChemDiv1_018003 (CAS 40963-95-9) is a chemical compound with molecular formula C20H20BrNO3S and molecular weight 433.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_018003, A2272/0095777, Ethyl 6-bromo-5-methoxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
| Molecular Formula | C20H20BrNO3S |
|---|---|
| Molecular Weight | 433.03 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.03473 |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 40963-95-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC=CC=C3 |
| InChIKey | ONOSVRGAHFKSPF-UHFFFAOYSA-N |
Product Overview
ChemDiv1_018003 (CAS 40963-95-9), with molecular formula C20H20BrNO3S and molecular weight 433.03 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_018003
Property Insights of ChemDiv1_018003
The XLogP value of 4.9 indicates that ChemDiv1_018003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018003. Following Lipinski's Rule of Five, ChemDiv1_018003 has 0 hydrogen bond donor(s) and 4 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_018003?
The CAS number of ChemDiv1_018003 is 40963-95-9.
What is the molecular formula of ChemDiv1_018003?
The molecular formula of ChemDiv1_018003 is C20H20BrNO3S.
What is the molecular weight of ChemDiv1_018003?
The molecular weight of ChemDiv1_018003 is 433.03 g/mol.
Where can I buy ChemDiv1_018003?
You can request a quote for ChemDiv1_018003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018003?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.