RefChem:381072
TL;DR: RefChem:381072 (CAS 79480-01-6) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3'-oxospiro[cyclopropane-1,2'-indole]-1'-carboxylate
Also Known As: Spiro(cyclopropane-1,2'(2H)-indole)-1'(3'H)-carboxylic acid, 3'-oxo-, methyl ester, Methyl 3'-oxospiro(cyclopropane-1,2'(2H)-indole)-1'(3'H)-carboxylate, methyl 3'-oxospiro[cyclopropane-1,2'-indole]-1'-carboxylate, Methyl 3'-oxospiro[cyclopropane-1,2'-indole]-1'(3'H)-carboxylate, BRN 5542970
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.9883 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 490.79218 |
Chemical Identifiers
| CAS Number | 79480-01-6 |
|---|---|
| SMILES | COC(=O)N1C2=CC=CC=C2C(=O)C13CC3 |
Product Overview
RefChem:381072 (CAS 79480-01-6), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: methyl 3'-oxospiro[cyclopropane-1,2'-indole]-1'-carboxylate.
Chemical Property Profile of RefChem:381072
Property Insights of RefChem:381072
The XLogP value of 1.9883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:381072. With a topological polar surface area (TPSA) of 46.61 Ų, RefChem:381072 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:381072 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 RefChem:381072?
The CAS number of RefChem:381072 is 79480-01-6.
What is the molecular formula of RefChem:381072?
The molecular formula of RefChem:381072 is C12H11NO3.
What is the molecular weight of RefChem:381072?
The molecular weight of RefChem:381072 is 217.07 g/mol.
Where can I buy RefChem:381072?
You can request a quote for RefChem:381072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:381072?
Yes, KEHONG BIO provides custom synthesis services for RefChem:381072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.