methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate
TL;DR: methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate (CAS 860651-34-9) is a chemical compound with molecular formula C15H15ClINO3 and molecular weight 418.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodoindole-2-carboxylate
Also Known As: methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate, 11W-0311, methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodoindole-2-carboxylate, Methyl 1-(3-chloro-2,2-dimethyl-propanoyl)-3-iodo-indole-2-carboxylate, methyl1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate
| Molecular Formula | C15H15ClINO3 |
|---|---|
| Molecular Weight | 418.98 g/mol |
| LogP | 3.9377 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.97852 |
| Heavy Atoms | 21 |
| Complexity | 721.02216 |
Chemical Identifiers
| CAS Number | 860651-34-9 |
|---|---|
| SMILES | CC(C)(CCl)C(=O)N1C2=CC=CC=C2C(=C1C(=O)OC)I |
Product Overview
methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate (CAS 860651-34-9), with molecular formula C15H15ClINO3 and molecular weight 418.98 g/mol. IUPAC: methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodoindole-2-carboxylate.
Chemical Property Profile of methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate
Property Insights of methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate
The XLogP value of 3.9377 indicates that methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate has 0 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 methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate?
The CAS number of methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate is 860651-34-9.
What is the molecular formula of methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate?
The molecular formula of methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate is C15H15ClINO3.
What is the molecular weight of methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate?
The molecular weight of methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate is 418.98 g/mol.
Where can I buy methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate?
You can request a quote for methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-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 methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(3-chloro-2,2-dimethylpropanoyl)-3-iodo-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.