4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid
TL;DR: 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid (CAS 4113-89-7) is a chemical compound with molecular formula C16H17N3O6 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxybenzoic acid
Also Known As: NCIOpen2_009959, 4-{[5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanoyl]amino}-2-hydroxybenzoic acid, 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid, 4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxybenzoic acid, 4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxybenzo
| Molecular Formula | C16H17N3O6 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.11172 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 4113-89-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CCCCN2C=CC(=O)NC2=O)O)C(=O)O |
| InChIKey | UBPCITVTCFUKDY-UHFFFAOYSA-N |
Product Overview
4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid (CAS 4113-89-7), with molecular formula C16H17N3O6 and molecular weight 347.11 g/mol. IUPAC: 4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxybenzoic acid.
Chemical Property Profile of 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid
Property Insights of 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid. Following Lipinski's Rule of Five, 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid has 4 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 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid?
The CAS number of 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid is 4113-89-7.
What is the molecular formula of 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid?
The molecular formula of 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid is C16H17N3O6.
What is the molecular weight of 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid?
The molecular weight of 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid is 347.11 g/mol.
Where can I buy 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid?
You can request a quote for 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.