![Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate structure](/static/products/2385/23852-98-4.webp)
Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate
TL;DR: Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate (CAS 23852-98-4) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate
Also Known As: methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate, Methyl-p-(3-aminoacetonyl)-methylamino-benzoat-oxim, methyl 4-{[3-amino-2-(hydroxyimino)propyl](methyl)amino}benzoate, Benzoic acid,4-[[3-amino-2-(hydroxyimino)propyl]methylamino]-,methyl ester, Benzoic acid,4-[[3-amino-2-(hydroxyimino)propyl]methylamino]-, methyl ester
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 23852-98-4 |
|---|---|
| SMILES | CN(CC(=NO)CN)C1=CC=C(C=C1)C(=O)OC |
| InChIKey | KKZJQJKXEXVBRC-UHFFFAOYSA-N |
Product Overview
Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate (CAS 23852-98-4), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate.
Chemical Property Profile of Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate
Property Insights of Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate has 2 hydrogen bond donor(s) and 6 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 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate?
The CAS number of Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate is 23852-98-4.
What is the molecular formula of Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate?
The molecular formula of Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate is C12H17N3O3.
What is the molecular weight of Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate?
The molecular weight of Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate is 251.13 g/mol.
Where can I buy Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate?
You can request a quote for Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(3-amino-2-hydroxyiminopropyl)-methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.