dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate
TL;DR: dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate (CAS 72010-37-8) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(1-methylindol-3-yl)methylidene]propanedioate
Also Known As: AN-465/12944079, dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate, dimethyl 2-[(1-methyl-1H-indol-3-yl)methylene]malonate, dimethyl 2-[(1-methylindol-3-yl)methylidene]propanedioate, dimethyl [(1-methyl-1H-indol-3-yl)methylidene]propanedioate
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 1.9077 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 678.9615 |
Chemical Identifiers
| CAS Number | 72010-37-8 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)C=C(C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate (CAS 72010-37-8), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: dimethyl 2-[(1-methylindol-3-yl)methylidene]propanedioate.
Chemical Property Profile of dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate
Property Insights of dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate
The XLogP value of 1.9077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate. With a topological polar surface area (TPSA) of 57.53 Ų, dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate has 0 hydrogen bond donor(s) and 4 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 dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate?
The CAS number of dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate is 72010-37-8.
What is the molecular formula of dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate?
The molecular formula of dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate is C15H15NO4.
What is the molecular weight of dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate?
The molecular weight of dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate is 273.10 g/mol.
Where can I buy dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate?
You can request a quote for dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-((1-methyl-1H-indol-3-yl)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.