ChemDiv1_010536
TL;DR: ChemDiv1_010536 (CAS 141599-36-2) is a chemical compound with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-hydroxy-1-methyl-2-(pyridin-2-ylsulfanylmethyl)indole-3-carboxylate
Also Known As: ChemDiv1_010536, BAS 02098824, AH-262/31840051, ethyl 6-bromo-5-hydroxy-1-methyl-2-[(2-pyridinylsulfanyl)methyl]-1H-indole-3-carboxylate, ethyl 6-bromo-5-hydroxy-1-methyl-2-[(pyridin-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate
| Molecular Formula | C18H17BrN2O3S |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 4.5104 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.01434 |
| Heavy Atoms | 25 |
| Complexity | 925.21106 |
Chemical Identifiers
| CAS Number | 141599-36-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=CC=CC=N3 |
Product Overview
ChemDiv1_010536 (CAS 141599-36-2), with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol. IUPAC: ethyl 6-bromo-5-hydroxy-1-methyl-2-(pyridin-2-ylsulfanylmethyl)indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_010536
Property Insights of ChemDiv1_010536
The XLogP value of 4.5104 indicates that ChemDiv1_010536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010536. Following Lipinski's Rule of Five, ChemDiv1_010536 has 1 hydrogen bond donor(s) and 5 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_010536?
The CAS number of ChemDiv1_010536 is 141599-36-2.
What is the molecular formula of ChemDiv1_010536?
The molecular formula of ChemDiv1_010536 is C18H17BrN2O3S.
What is the molecular weight of ChemDiv1_010536?
The molecular weight of ChemDiv1_010536 is 420.01 g/mol.
Where can I buy ChemDiv1_010536?
You can request a quote for ChemDiv1_010536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010536?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.