![3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid structure](/static/products/864/864869-22-7.png)
3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid
TL;DR: 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid (CAS 864869-22-7) is a chemical compound with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]propanoic acid
Also Known As: 3-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid, 3-({5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl}amino)propanoic acid, 3-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]propanoic acid, 3-({5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl}amino)propanoicacid, 3-[[6-(N-isopropylanilino)-5-nitro-pyrimidin-4-yl]amino]propanoic acid
| Molecular Formula | C16H19N5O4 |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 2.8179 |
| Topological Polar Surface Area | 121.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.1437 |
| Heavy Atoms | 25 |
| Complexity | 751.44525 |
Chemical Identifiers
| CAS Number | 864869-22-7 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC(=O)O |
Product Overview
3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid (CAS 864869-22-7), with molecular formula C16H19N5O4 and molecular weight 345.14 g/mol. IUPAC: 3-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]propanoic acid.
Chemical Property Profile of 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid
Property Insights of 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid
The XLogP value of 2.8179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid. The TPSA of 121.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid. Following Lipinski's Rule of Five, 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic 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 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid?
The CAS number of 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid is 864869-22-7.
What is the molecular formula of 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid?
The molecular formula of 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid is C16H19N5O4.
What is the molecular weight of 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid?
The molecular weight of 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid is 345.14 g/mol.
Where can I buy 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid?
You can request a quote for 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[6-(Isopropylanilino)-5-nitro-4-pyrimidinyl]amino}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.