![4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid structure](/static/products/847/847744-23-4.png)
4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid
TL;DR: 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid (CAS 847744-23-4) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(propan-2-ylcarbamoylamino)methyl]benzoic acid
Also Known As: 4-({[(propan-2-yl)carbamoyl]amino}methyl)benzoic acid, 4-[(propan-2-ylcarbamoylamino)methyl]benzoic Acid, 4-({[(isopropylamino)carbonyl]amino}methyl)benzoic acid, 4-[(isopropylcarbamoylamino)methyl]benzoic acid, 4-({[(propan-2-yl)carbamoyl]amino}methyl)benzoicacid
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.5924 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 398.7167 |
Chemical Identifiers
| CAS Number | 847744-23-4 |
|---|---|
| SMILES | CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)O |
Product Overview
4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid (CAS 847744-23-4), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 4-[(propan-2-ylcarbamoylamino)methyl]benzoic acid.
Chemical Property Profile of 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid
Property Insights of 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid
The XLogP value of 1.5924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid has 3 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 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid?
The CAS number of 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid is 847744-23-4.
What is the molecular formula of 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid?
The molecular formula of 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid is C12H16N2O3.
What is the molecular weight of 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid?
The molecular weight of 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid is 236.12 g/mol.
Where can I buy 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid?
You can request a quote for 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(Propan-2-yl)carbamoyl]amino}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.