2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate
TL;DR: 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate (CAS 930442-88-9) is a chemical compound with molecular formula C12H15ClN2O3 and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(propan-2-ylamino)ethyl] 3-amino-4-chlorobenzoate
Also Known As: 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate, [2-oxo-2-(propan-2-ylamino)ethyl] 3-amino-4-chlorobenzoate
| Molecular Formula | C12H15ClN2O3 |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 1.6036 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.07712 |
| Heavy Atoms | 18 |
| Complexity | 460.63577 |
Chemical Identifiers
| CAS Number | 930442-88-9 |
|---|---|
| SMILES | CC(C)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)N |
Product Overview
2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate (CAS 930442-88-9), with molecular formula C12H15ClN2O3 and molecular weight 270.08 g/mol. IUPAC: [2-oxo-2-(propan-2-ylamino)ethyl] 3-amino-4-chlorobenzoate.
Chemical Property Profile of 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate
Property Insights of 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate
The XLogP value of 1.6036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate. Following Lipinski's Rule of Five, 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate has 2 hydrogen bond donor(s) and 4 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-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate?
The CAS number of 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate is 930442-88-9.
What is the molecular formula of 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate?
The molecular formula of 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate is C12H15ClN2O3.
What is the molecular weight of 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate?
The molecular weight of 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate is 270.08 g/mol.
Where can I buy 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate?
You can request a quote for 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropylamino)-2-oxoethyl 3-amino-4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.