BRD-K79700025-001-07-2
TL;DR: BRD-K79700025-001-07-2 (CAS 313702-53-3) is a chemical compound with molecular formula C20H28BrN3O4 and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-5-methoxy-1-methylindole-3-carboxylate
Also Known As: BRD-K79700025-001-07-2, ethyl 6-bromo-2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate, ethyl 6-bromo-2-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-5-methoxy-1-methyl-1H-indole-3-carboxylate, ethyl 6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-5-methoxy-1-methylindole-3-carboxylate
| Molecular Formula | C20H28BrN3O4 |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.1263 |
| Heavy Atoms | 28 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 313702-53-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CN3CCN(CC3)CCO |
| InChIKey | QKHSIGOGHUFURF-UHFFFAOYSA-N |
Product Overview
BRD-K79700025-001-07-2 (CAS 313702-53-3), with molecular formula C20H28BrN3O4 and molecular weight 453.13 g/mol. IUPAC: ethyl 6-bromo-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-5-methoxy-1-methylindole-3-carboxylate.
Chemical Property Profile of BRD-K79700025-001-07-2
Property Insights of BRD-K79700025-001-07-2
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K79700025-001-07-2. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K79700025-001-07-2. Following Lipinski's Rule of Five, BRD-K79700025-001-07-2 has 1 hydrogen bond donor(s) and 6 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-K79700025-001-07-2?
The CAS number of BRD-K79700025-001-07-2 is 313702-53-3.
What is the molecular formula of BRD-K79700025-001-07-2?
The molecular formula of BRD-K79700025-001-07-2 is C20H28BrN3O4.
What is the molecular weight of BRD-K79700025-001-07-2?
The molecular weight of BRD-K79700025-001-07-2 is 453.13 g/mol.
Where can I buy BRD-K79700025-001-07-2?
You can request a quote for BRD-K79700025-001-07-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K79700025-001-07-2?
Yes, KEHONG BIO provides custom synthesis services for BRD-K79700025-001-07-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.