![2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid structure](/static/products/1008/1008064-69-4.webp)
2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid
TL;DR: 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid (CAS 1008064-69-4) is a chemical compound with molecular formula C22H23N5O4 and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]-3-phenylpropanoic acid
Also Known As: 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid, 2-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]-3-phenylpropanoic acid, 2-({5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl}amino)-3-phenylpropanoic acid, Phenylalanine, N-[6-[(1-methylethyl)phenylamino]-5-nitro-4-pyrimidinyl]-, 2-({5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl}amino)-3-phenylpropanoicacid
| Molecular Formula | C22H23N5O4 |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 4.0391 |
| Topological Polar Surface Area | 121.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.17502 |
| Heavy Atoms | 31 |
| Complexity | 1044.2816 |
Chemical Identifiers
| CAS Number | 1008064-69-4 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC(CC3=CC=CC=C3)C(=O)O |
Product Overview
2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid (CAS 1008064-69-4), with molecular formula C22H23N5O4 and molecular weight 421.18 g/mol. IUPAC: 2-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid
Property Insights of 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid
The XLogP value of 4.0391 indicates that 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid has 2 hydrogen bond donor(s) and 7 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-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid?
The CAS number of 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid is 1008064-69-4.
What is the molecular formula of 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid?
The molecular formula of 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid is C22H23N5O4.
What is the molecular weight of 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid?
The molecular weight of 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid is 421.18 g/mol.
Where can I buy 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid?
You can request a quote for 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.