ChemDiv1_010621
TL;DR: ChemDiv1_010621 (CAS 300809-15-8) is a chemical compound with molecular formula C29H30BrN3O3 and molecular weight 547.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate
Also Known As: ChemDiv1_010621, A0229/0010338, BRD-K39973561-001-01-7, ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate, ethyl 6-bromo-5-hydroxy-1-benzyl-2-[(4-phenylpiperazinyl)methyl]indole-3-carbo xylate
| Molecular Formula | C29H30BrN3O3 |
|---|---|
| Molecular Weight | 547.15 g/mol |
| LogP | 5.6566 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.14703 |
| Heavy Atoms | 36 |
| Complexity | 1346.9596 |
Chemical Identifiers
| CAS Number | 300809-15-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5 |
Product Overview
ChemDiv1_010621 (CAS 300809-15-8), with molecular formula C29H30BrN3O3 and molecular weight 547.15 g/mol. IUPAC: ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]indole-3-carboxylate.
Chemical Property Profile of ChemDiv1_010621
Property Insights of ChemDiv1_010621
The XLogP value of 5.6566 indicates that ChemDiv1_010621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, ChemDiv1_010621 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_010621 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010621?
The CAS number of ChemDiv1_010621 is 300809-15-8.
What is the molecular formula of ChemDiv1_010621?
The molecular formula of ChemDiv1_010621 is C29H30BrN3O3.
What is the molecular weight of ChemDiv1_010621?
The molecular weight of ChemDiv1_010621 is 547.15 g/mol.
Where can I buy ChemDiv1_010621?
You can request a quote for ChemDiv1_010621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010621?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.