methyl 5-chloro-2-methyl-1H-indole-1-carboxylate
TL;DR: methyl 5-chloro-2-methyl-1H-indole-1-carboxylate (CAS 887575-80-6) is a chemical compound with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2-methylindole-1-carboxylate
Also Known As: methyl 5-chloro-2-methyl-1H-indole-1-carboxylate, methyl 5-chloro-2-methylindolecarboxylate, methyl 5-chloro-2-methylindole-1-carboxylate, AQ-405/42300591
| Molecular Formula | C11H10ClNO2 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 3.21762 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.04001 |
| Heavy Atoms | 15 |
| Complexity | 530.6126 |
Chemical Identifiers
| CAS Number | 887575-80-6 |
|---|---|
| SMILES | CC1=CC2=C(N1C(=O)OC)C=CC(=C2)Cl |
Product Overview
methyl 5-chloro-2-methyl-1H-indole-1-carboxylate (CAS 887575-80-6), with molecular formula C11H10ClNO2 and molecular weight 223.04 g/mol. IUPAC: methyl 5-chloro-2-methylindole-1-carboxylate.
Chemical Property Profile of methyl 5-chloro-2-methyl-1H-indole-1-carboxylate
Property Insights of methyl 5-chloro-2-methyl-1H-indole-1-carboxylate
The XLogP value of 3.21762 indicates that methyl 5-chloro-2-methyl-1H-indole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, methyl 5-chloro-2-methyl-1H-indole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-chloro-2-methyl-1H-indole-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 5-chloro-2-methyl-1H-indole-1-carboxylate?
The CAS number of methyl 5-chloro-2-methyl-1H-indole-1-carboxylate is 887575-80-6.
What is the molecular formula of methyl 5-chloro-2-methyl-1H-indole-1-carboxylate?
The molecular formula of methyl 5-chloro-2-methyl-1H-indole-1-carboxylate is C11H10ClNO2.
What is the molecular weight of methyl 5-chloro-2-methyl-1H-indole-1-carboxylate?
The molecular weight of methyl 5-chloro-2-methyl-1H-indole-1-carboxylate is 223.04 g/mol.
Where can I buy methyl 5-chloro-2-methyl-1H-indole-1-carboxylate?
You can request a quote for methyl 5-chloro-2-methyl-1H-indole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-chloro-2-methyl-1H-indole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-chloro-2-methyl-1H-indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.