![2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid structure](/static/products/7682/76822-63-4.webp)
2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
TL;DR: 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid (CAS 76822-63-4) is a chemical compound with molecular formula C20H20N6O5S and molecular weight 456.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
Also Known As: 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid, L-Glutamic acid,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methyl]thio]benzoyl]-, L-Glutamic acid, N-[4-[[(2,4-diaminopyrido[3, 2-d]pyrimidin-6-yl)methyl]thio]benzoyl]-, N-(4-{[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methyl]sulfanyl}benzoyl)glutamic acid
| Molecular Formula | C20H20N6O5S |
|---|---|
| Molecular Weight | 456.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.12158 |
| Heavy Atoms | 32 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 76822-63-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)SCC2=NC3=C(C=C2)N=C(N=C3N)N |
| InChIKey | LKSYAPXCVZORHU-UHFFFAOYSA-N |
Product Overview
2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid (CAS 76822-63-4), with molecular formula C20H20N6O5S and molecular weight 456.12 g/mol. IUPAC: 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
Property Insights of 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid. The TPSA of 220.0 Ų indicates high polarity, suggesting 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid has 5 hydrogen bond donor(s) and 11 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-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
The CAS number of 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid is 76822-63-4.
What is the molecular formula of 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
The molecular formula of 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid is C20H20N6O5S.
What is the molecular weight of 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
The molecular weight of 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid is 456.12 g/mol.
Where can I buy 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
You can request a quote for 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]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-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[(2,4-diaminopyrido[3,2-d]pyrimidin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.