BRD-K20170330-001-01-1
TL;DR: BRD-K20170330-001-01-1 (CAS 348145-40-4) is a chemical compound with molecular formula C29H31N3O3 and molecular weight 469.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-1-phenylindole-3-carboxylate
Also Known As: BRD-K20170330-001-01-1, ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-1-phenyl-1H-indole-3-carboxylate, ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-1-phenylindole-3-carboxylate, ethyl 2-((4-benzylpiperazin-1-yl)methyl)-5-hydroxy-1-phenyl-1H-indole-3-carboxylate, Ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-1-phenyl-indole-3-carboxylate
| Molecular Formula | C29H31N3O3 |
|---|---|
| Molecular Weight | 469.24 g/mol |
| LogP | 4.8306 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.23654 |
| Heavy Atoms | 35 |
| Complexity | 1293.2635 |
Chemical Identifiers
| CAS Number | 348145-40-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
BRD-K20170330-001-01-1 (CAS 348145-40-4), with molecular formula C29H31N3O3 and molecular weight 469.24 g/mol. IUPAC: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-1-phenylindole-3-carboxylate.
Chemical Property Profile of BRD-K20170330-001-01-1
Property Insights of BRD-K20170330-001-01-1
The XLogP value of 4.8306 indicates that BRD-K20170330-001-01-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, BRD-K20170330-001-01-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BRD-K20170330-001-01-1 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 BRD-K20170330-001-01-1?
The CAS number of BRD-K20170330-001-01-1 is 348145-40-4.
What is the molecular formula of BRD-K20170330-001-01-1?
The molecular formula of BRD-K20170330-001-01-1 is C29H31N3O3.
What is the molecular weight of BRD-K20170330-001-01-1?
The molecular weight of BRD-K20170330-001-01-1 is 469.24 g/mol.
Where can I buy BRD-K20170330-001-01-1?
You can request a quote for BRD-K20170330-001-01-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K20170330-001-01-1?
Yes, KEHONG BIO provides custom synthesis services for BRD-K20170330-001-01-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.