ChemDiv1_010720
TL;DR: ChemDiv1_010720 (CAS 296799-81-0) is a chemical compound with molecular formula C24H28BrN3O3 and molecular weight 485.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenylindole-3-carboxylate
Also Known As: ChemDiv1_010720, A0802/0037535, BRD-K23732851-004-01-8, ethyl 6-bromo-5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenylindole-3-carboxylate
| Molecular Formula | C24H28BrN3O3 |
|---|---|
| Molecular Weight | 485.13 g/mol |
| LogP | 4.3257 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.1314 |
| Heavy Atoms | 31 |
| Complexity | 1072.8582 |
Chemical Identifiers
| CAS Number | 296799-81-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCN(CC4)C |
Product Overview
ChemDiv1_010720 (CAS 296799-81-0), with molecular formula C24H28BrN3O3 and molecular weight 485.13 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenylindole-3-carboxylate.
Chemical Property Profile of ChemDiv1_010720
Property Insights of ChemDiv1_010720
The XLogP value of 4.3257 indicates that ChemDiv1_010720 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, ChemDiv1_010720 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_010720 has 0 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_010720?
The CAS number of ChemDiv1_010720 is 296799-81-0.
What is the molecular formula of ChemDiv1_010720?
The molecular formula of ChemDiv1_010720 is C24H28BrN3O3.
What is the molecular weight of ChemDiv1_010720?
The molecular weight of ChemDiv1_010720 is 485.13 g/mol.
Where can I buy ChemDiv1_010720?
You can request a quote for ChemDiv1_010720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010720?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.