![2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid structure](/static/products/87-/87-37-6.png)
2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid
TL;DR: 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid (CAS 87-37-6) is a chemical compound with molecular formula C20H22N4O7S and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid
Also Known As: 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid, 2-[[4-[3-(4-methyl-6-oxo-2-sulfanylidene-3H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid, N-{4-[3-(6-Methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl)propanamido]benzoyl}glutamic acid
| Molecular Formula | C20H22N4O7S |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 1.36001 |
| Topological Polar Surface Area | 181.45 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 462.1209 |
| Heavy Atoms | 32 |
| Complexity | 1137.8727 |
Chemical Identifiers
| CAS Number | 87-37-6 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O |
Product Overview
2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid (CAS 87-37-6), with molecular formula C20H22N4O7S and molecular weight 462.12 g/mol. IUPAC: 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid
Property Insights of 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid
The XLogP value of 1.36001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid. The TPSA of 181.45 Ų indicates high polarity, suggesting 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid?
The CAS number of 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid is 87-37-6.
What is the molecular formula of 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid?
The molecular formula of 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid is C20H22N4O7S.
What is the molecular weight of 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid?
The molecular weight of 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid is 462.12 g/mol.
Where can I buy 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid?
You can request a quote for 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.