![diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate structure](/static/products/7028/70280-72-7.webp)
diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate
TL;DR: diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate (CAS 70280-72-7) is a chemical compound with molecular formula C30H34N8O5 and molecular weight 586.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate
Also Known As: diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate, Diethyl N-(4-{benzyl[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)glutamate
| Molecular Formula | C30H34N8O5 |
|---|---|
| Molecular Weight | 586.27 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 586.2652 |
| Heavy Atoms | 43 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 70280-72-7 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CN=C4C(=N3)C(=NC(=N4)N)N |
| InChIKey | WGXAKBWZVYXXOV-UHFFFAOYSA-N |
Product Overview
diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate (CAS 70280-72-7), with molecular formula C30H34N8O5 and molecular weight 586.27 g/mol. IUPAC: diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate.
Chemical Property Profile of diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate
Property Insights of diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate. The TPSA of 189.0 Ų indicates high polarity, suggesting diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate?
The CAS number of diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate is 70280-72-7.
What is the molecular formula of diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate?
The molecular formula of diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate is C30H34N8O5.
What is the molecular weight of diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate?
The molecular weight of diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate is 586.27 g/mol.
Where can I buy diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate?
You can request a quote for diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[[4-[benzyl-[(2,4-diaminopteridin-6-yl)methyl]amino]benzoyl]amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.