methyl 6-bromo-1H-indole-2-carboxylate
TL;DR: methyl 6-bromo-1H-indole-2-carboxylate (CAS 103858-53-3) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-bromo-1H-indole-2-carboxylate
Also Known As: methyl 6-bromo-1H-indole-2-carboxylate, 6-BROMO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER, METHYL 6-BROMOINDOLE-2-CARBOXYLATE, methyl5-bromo-1H-indole-2-carboxylate, methyl6-bromo-1H-indole-2-carboxylate
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 103858-53-3 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(N1)C=C(C=C2)Br |
| InChIKey | BUMYRKNZGPXFEG-UHFFFAOYSA-N |
Product Overview
methyl 6-bromo-1H-indole-2-carboxylate (CAS 103858-53-3), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: methyl 6-bromo-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 6-bromo-1H-indole-2-carboxylate
Property Insights of methyl 6-bromo-1H-indole-2-carboxylate
The XLogP value of 3.1 indicates that methyl 6-bromo-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 42.1 Ų, methyl 6-bromo-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 6-bromo-1H-indole-2-carboxylate has 1 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 6-bromo-1H-indole-2-carboxylate?
The CAS number of methyl 6-bromo-1H-indole-2-carboxylate is 103858-53-3.
What is the molecular formula of methyl 6-bromo-1H-indole-2-carboxylate?
The molecular formula of methyl 6-bromo-1H-indole-2-carboxylate is C10H8BrNO2.
What is the molecular weight of methyl 6-bromo-1H-indole-2-carboxylate?
The molecular weight of methyl 6-bromo-1H-indole-2-carboxylate is 252.97 g/mol.
Where can I buy methyl 6-bromo-1H-indole-2-carboxylate?
You can request a quote for methyl 6-bromo-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 6-bromo-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-bromo-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.