ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate
TL;DR: ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate (CAS 899379-92-1) is a chemical compound with molecular formula C22H25ClN2O3 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-chloroadamantane-1-carbonyl)amino]-1H-indole-2-carboxylate
Also Known As: ethyl 3-[(3-chloroadamantane-1-carbonyl)amino]-1H-indole-2-carboxylate, ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate, ethyl 3-{[(3-chlorotricyclo[3.3.1.1~3,7~]dec-1-yl)carbonyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C22H25ClN2O3 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 4.8609 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.15536 |
| Heavy Atoms | 28 |
| Complexity | 951.8426 |
Chemical Identifiers
| CAS Number | 899379-92-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl |
Product Overview
ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate (CAS 899379-92-1), with molecular formula C22H25ClN2O3 and molecular weight 400.16 g/mol. IUPAC: ethyl 3-[(3-chloroadamantane-1-carbonyl)amino]-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate
Property Insights of ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate
The XLogP value of 4.8609 indicates that ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-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-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 3 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 ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate?
The CAS number of ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate is 899379-92-1.
What is the molecular formula of ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate is C22H25ClN2O3.
What is the molecular weight of ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate is 400.16 g/mol.
Where can I buy ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-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-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-((1r,3s,5R,7S)-3-chloroadamantane-1-carboxamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.