NCI60_040547
TL;DR: NCI60_040547 (CAS 329212-53-5) is a chemical compound with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-methoxy-1-phenyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
Also Known As: NCI60_040547, A1431/0063601, ethyl 6-bromo-5-methoxy-1-phenyl-2-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate, ethyl 6-bromo-5-methoxy-1-phenyl-2-(pyrrolidinylmethyl)indole-3-carboxylate, Ethyl 6-bromo-5-methoxy-1-phenyl-2-(1-pyrrolidinylmethyl)-1H-indole-3-carboxylate #
| Molecular Formula | C23H25BrN2O3 |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.10486 |
| Heavy Atoms | 29 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 329212-53-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCCC4 |
| InChIKey | VYUQRLYKYWEPHX-UHFFFAOYSA-N |
Product Overview
NCI60_040547 (CAS 329212-53-5), with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol. IUPAC: ethyl 6-bromo-5-methoxy-1-phenyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate.
Chemical Property Profile of NCI60_040547
Property Insights of NCI60_040547
The XLogP value of 4.9 indicates that NCI60_040547 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, NCI60_040547 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_040547 has 0 hydrogen bond donor(s) and 4 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 NCI60_040547?
The CAS number of NCI60_040547 is 329212-53-5.
What is the molecular formula of NCI60_040547?
The molecular formula of NCI60_040547 is C23H25BrN2O3.
What is the molecular weight of NCI60_040547?
The molecular weight of NCI60_040547 is 456.10 g/mol.
Where can I buy NCI60_040547?
You can request a quote for NCI60_040547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_040547?
Yes, KEHONG BIO provides custom synthesis services for NCI60_040547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.