Methyl 3-(3-isopropylureido)benzoate
TL;DR: Methyl 3-(3-isopropylureido)benzoate (CAS 672286-30-5) 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.
methyl 3-(propan-2-ylcarbamoylamino)benzoate
Also Known As: methyl 3-(3-isopropylureido)benzoate, starbld0028267, Maybridge4_000982, methyl 3-{[(propan-2-yl)carbamoyl]amino}benzoate, methyl 3-(propan-2-ylcarbamoylamino)benzoate
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.0031 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 415.9667 |
Chemical Identifiers
| CAS Number | 672286-30-5 |
|---|---|
| SMILES | CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)OC |
Product Overview
Methyl 3-(3-isopropylureido)benzoate (CAS 672286-30-5), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: methyl 3-(propan-2-ylcarbamoylamino)benzoate.
Chemical Property Profile of Methyl 3-(3-isopropylureido)benzoate
Property Insights of Methyl 3-(3-isopropylureido)benzoate
The XLogP value of 2.0031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-isopropylureido)benzoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-isopropylureido)benzoate. Following Lipinski's Rule of Five, Methyl 3-(3-isopropylureido)benzoate has 2 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 Methyl 3-(3-isopropylureido)benzoate?
The CAS number of Methyl 3-(3-isopropylureido)benzoate is 672286-30-5.
What is the molecular formula of Methyl 3-(3-isopropylureido)benzoate?
The molecular formula of Methyl 3-(3-isopropylureido)benzoate is C12H16N2O3.
What is the molecular weight of Methyl 3-(3-isopropylureido)benzoate?
The molecular weight of Methyl 3-(3-isopropylureido)benzoate is 236.12 g/mol.
Where can I buy Methyl 3-(3-isopropylureido)benzoate?
You can request a quote for Methyl 3-(3-isopropylureido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-isopropylureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-isopropylureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.