![2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid structure](/static/products/3596/35960-66-8.webp)
2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
TL;DR: 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid (CAS 35960-66-8) is a chemical compound with molecular formula C20H25N5O5S and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
Also Known As: 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid, 2-[[4-[3-(2-amino-4-methyl-6-sulfanylidene-3H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid, 2-[[4-[3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid, Glutamic acid, N-[4-[[3-(2-amino-1,4-dihydro-6-methyl-4-thioxo-5-pyrimidinyl)propyl]amino]benzoyl]-, N-(4-{[3-(2-Amino-6-methyl-4-sulfanylidene-1,4-dihydropyrimidin-5-yl)propyl]amino}benzoyl)glutamic acid
| Molecular Formula | C20H25N5O5S |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 2.12231 |
| Topological Polar Surface Area | 170.43 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 447.15765 |
| Heavy Atoms | 31 |
| Complexity | 1006.01044 |
Chemical Identifiers
| CAS Number | 35960-66-8 |
|---|---|
| SMILES | CC1=C(C(=S)N=C(N1)N)CCCNC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O |
Product Overview
2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid (CAS 35960-66-8), with molecular formula C20H25N5O5S and molecular weight 447.16 g/mol. IUPAC: 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
Property Insights of 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid
The XLogP value of 2.12231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid. The TPSA of 170.43 Ų indicates high polarity, suggesting 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid has 6 hydrogen bond donor(s) and 7 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-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid?
The CAS number of 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid is 35960-66-8.
What is the molecular formula of 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid?
The molecular formula of 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid is C20H25N5O5S.
What is the molecular weight of 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid?
The molecular weight of 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid is 447.16 g/mol.
Where can I buy 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid?
You can request a quote for 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]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-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.