1-Carboxy-4-isobutylaminomethylbenzene
TL;DR: 1-Carboxy-4-isobutylaminomethylbenzene (CAS 932279-10-2) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylpropylamino)methyl]benzoic acid
Also Known As: 4-[(2-methylpropylamino)methyl]benzoic Acid, 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE, 4-((isobutylamino)methyl)benzoic acid, 4-[(isobutylamino)methyl]benzoic acid, 4-{[(2-methylpropyl)amino]methyl}benzoic acid
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.1304 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 316.89893 |
Chemical Identifiers
| CAS Number | 932279-10-2 |
|---|---|
| SMILES | CC(C)CNCC1=CC=C(C=C1)C(=O)O |
Product Overview
1-Carboxy-4-isobutylaminomethylbenzene (CAS 932279-10-2), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 4-[(2-methylpropylamino)methyl]benzoic acid.
Chemical Property Profile of 1-Carboxy-4-isobutylaminomethylbenzene
Property Insights of 1-Carboxy-4-isobutylaminomethylbenzene
The XLogP value of 2.1304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carboxy-4-isobutylaminomethylbenzene. With a topological polar surface area (TPSA) of 49.33 Ų, 1-Carboxy-4-isobutylaminomethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Carboxy-4-isobutylaminomethylbenzene has 2 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 1-Carboxy-4-isobutylaminomethylbenzene?
The CAS number of 1-Carboxy-4-isobutylaminomethylbenzene is 932279-10-2.
What is the molecular formula of 1-Carboxy-4-isobutylaminomethylbenzene?
The molecular formula of 1-Carboxy-4-isobutylaminomethylbenzene is C12H17NO2.
What is the molecular weight of 1-Carboxy-4-isobutylaminomethylbenzene?
The molecular weight of 1-Carboxy-4-isobutylaminomethylbenzene is 207.13 g/mol.
Where can I buy 1-Carboxy-4-isobutylaminomethylbenzene?
You can request a quote for 1-Carboxy-4-isobutylaminomethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Carboxy-4-isobutylaminomethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Carboxy-4-isobutylaminomethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.