4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
TL;DR: 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate (CAS 432012-86-7) is a chemical compound with molecular formula C19H19NO3 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
Also Known As: 4-methylphenyl 4-indolinyl-4-oxobutanoate, BAS 03380535, p-tolyl 4-(indolin-1-yl)-4-oxobutanoate, 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate, AN-329/40805489
| Molecular Formula | C19H19NO3 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.1365 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 432012-86-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CCC(=O)N2CCC3=CC=CC=C32 |
| InChIKey | PIWQHEJJIDVUPC-UHFFFAOYSA-N |
Product Overview
4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate (CAS 432012-86-7), with molecular formula C19H19NO3 and molecular weight 309.14 g/mol. IUPAC: (4-methylphenyl) 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate.
Chemical Property Profile of 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
Property Insights of 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
The XLogP value of 3.0 indicates that 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate 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 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
The CAS number of 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is 432012-86-7.
What is the molecular formula of 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
The molecular formula of 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is C19H19NO3.
What is the molecular weight of 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
The molecular weight of 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is 309.14 g/mol.
Where can I buy 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
You can request a quote for 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-methylphenyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.