![2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid structure](/static/products/1025/1025769-91-8.webp)
2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid
TL;DR: 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid (CAS 1025769-91-8) is a chemical compound with molecular formula C18H23N5O6S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-2-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]butanoic acid
Also Known As: 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid, 4-methylsulfonyl-2-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]butanoic acid, 4-methanesulfonyl-2-({5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl}amino)butanoic acid, 2-({6-[isopropyl(phenyl)amino]-5-nitropyrimidin-4-yl}amino)-4-methanesulfonylbutanoic acid, 4-methanesulfonyl-2-({5-nitro-6-[phenyl(propan-2-yl)amino]pyrimidin-4-yl}amino)butanoicacid
| Molecular Formula | C18H23N5O6S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 2.2311 |
| Topological Polar Surface Area | 155.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.1369 |
| Heavy Atoms | 30 |
| Complexity | 1012.98193 |
Chemical Identifiers
| CAS Number | 1025769-91-8 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC(CCS(=O)(=O)C)C(=O)O |
Product Overview
2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid (CAS 1025769-91-8), with molecular formula C18H23N5O6S and molecular weight 437.14 g/mol. IUPAC: 4-methylsulfonyl-2-[[5-nitro-6-(N-propan-2-ylanilino)pyrimidin-4-yl]amino]butanoic acid.
Chemical Property Profile of 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid
Property Insights of 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid
The XLogP value of 2.2311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid. The TPSA of 155.63 Ų indicates high polarity, suggesting 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid has 2 hydrogen bond donor(s) and 9 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}-4-(methylsulfonyl)butanoic acid?
The CAS number of 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid is 1025769-91-8.
What is the molecular formula of 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid?
The molecular formula of 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid is C18H23N5O6S.
What is the molecular weight of 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid?
The molecular weight of 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid is 437.14 g/mol.
Where can I buy 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid?
You can request a quote for 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic 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}-4-(methylsulfonyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-(isopropylanilino)-5-nitro-4-pyrimidinyl]amino}-4-(methylsulfonyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.