A4100/0174789
TL;DR: A4100/0174789 (CAS 893770-74-6) is a chemical compound with molecular formula C18H15BrClNO4 and molecular weight 422.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindole-3-carboxylic acid
Also Known As: A4100/0174789, 6-bromo-2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methyl-1H-indole-3-carboxylic acid, 6-bromo-2-((4-chlorophenoxy)methyl)-5-methoxy-1-methyl-1H-indole-3-carboxylic acid, 6-bromo-2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindole-3-carboxylic acid
| Molecular Formula | C18H15BrClNO4 |
|---|---|
| Molecular Weight | 422.99 g/mol |
| LogP | 4.88 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.9873 |
| Heavy Atoms | 25 |
| Complexity | 950.10474 |
Chemical Identifiers
| CAS Number | 893770-74-6 |
|---|---|
| SMILES | CN1C2=CC(=C(C=C2C(=C1COC3=CC=C(C=C3)Cl)C(=O)O)OC)Br |
Product Overview
A4100/0174789 (CAS 893770-74-6), with molecular formula C18H15BrClNO4 and molecular weight 422.99 g/mol. IUPAC: 6-bromo-2-[(4-chlorophenoxy)methyl]-5-methoxy-1-methylindole-3-carboxylic acid.
Chemical Property Profile of A4100/0174789
Property Insights of A4100/0174789
The XLogP value of 4.88 indicates that A4100/0174789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for A4100/0174789. Following Lipinski's Rule of Five, A4100/0174789 has 1 hydrogen bond donor(s) and 3 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 A4100/0174789?
The CAS number of A4100/0174789 is 893770-74-6.
What is the molecular formula of A4100/0174789?
The molecular formula of A4100/0174789 is C18H15BrClNO4.
What is the molecular weight of A4100/0174789?
The molecular weight of A4100/0174789 is 422.99 g/mol.
Where can I buy A4100/0174789?
You can request a quote for A4100/0174789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4100/0174789?
Yes, KEHONG BIO provides custom synthesis services for A4100/0174789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.