![2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid structure](/static/products/866/866153-49-3.png)
2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid
TL;DR: 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid (CAS 866153-49-3) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-4-propan-2-ylanilino)methyl]butanedioic acid
Also Known As: 2-[(4-isopropyl-3-methylanilino)methyl]succinic acid, 2-[(3-methyl-4-propan-2-ylanilino)methyl]butanedioic acid, 2-({[3-methyl-4-(propan-2-yl)phenyl]amino}methyl)butanedioic acid, 2-{[(4-isopropyl-3-methylphenyl)amino]methyl}butanedioic acid, 2-({[3-methyl-4-(propan-2-yl)phenyl]amino}methyl)butanedioicacid
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 2.70582 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 496.6469 |
Chemical Identifiers
| CAS Number | 866153-49-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NCC(CC(=O)O)C(=O)O)C(C)C |
Product Overview
2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid (CAS 866153-49-3), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: 2-[(3-methyl-4-propan-2-ylanilino)methyl]butanedioic acid.
Chemical Property Profile of 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid
Property Insights of 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid
The XLogP value of 2.70582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid. The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid. Following Lipinski's Rule of Five, 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid has 3 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 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid?
The CAS number of 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid is 866153-49-3.
What is the molecular formula of 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid?
The molecular formula of 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid is C15H21NO4.
What is the molecular weight of 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid?
The molecular weight of 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid is 279.15 g/mol.
Where can I buy 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid?
You can request a quote for 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Isopropyl-3-methylanilino)methyl]succinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.