![Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate structure](/static/products/956/956370-53-9.png)
Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate
TL;DR: Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate (CAS 956370-53-9) is a chemical compound with molecular formula C22H24BrFN2O3 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate
Also Known As: Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate, ethyl 3-((1r,3s,5R,7S)-3-bromoadamantane-1-carboxamido)-5-fluoro-1H-indole-2-carboxylate, ethyl 3-{[(3-bromotricyclo[3.3.1.1~3,7~]dec-1-yl)carbonyl]amino}-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C22H24BrFN2O3 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 5.1561 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.09543 |
| Heavy Atoms | 29 |
| Complexity | 1002.8962 |
Chemical Identifiers
| CAS Number | 956370-53-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br |
Product Overview
Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate (CAS 956370-53-9), with molecular formula C22H24BrFN2O3 and molecular weight 462.10 g/mol. IUPAC: ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate
Property Insights of Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 5.1561 indicates that Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
The CAS number of Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate is 956370-53-9.
What is the molecular formula of Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate is C22H24BrFN2O3.
What is the molecular weight of Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate is 462.10 g/mol.
Where can I buy Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(3-bromoadamantane-1-carbonyl)amino]-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.