![diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate structure](/static/products/7053/70539-54-7.webp)
diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate
TL;DR: diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate (CAS 70539-54-7) is a chemical compound with molecular formula C25H30Cl2N8O5 and molecular weight 592.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate
Also Known As: diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate, Diethyl N-(3,5-dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](ethyl)amino}benzoyl)glutamate, L-Glutamic acid, N-[3,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]ethylamino]benzoyl]-, diethyl ester, L-Glutamic acid,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]ethylamino]benzoyl]-, diethyl ester
| Molecular Formula | C25H30Cl2N8O5 |
|---|---|
| Molecular Weight | 592.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 592.17163 |
| Heavy Atoms | 40 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 70539-54-7 |
|---|---|
| SMILES | CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)OCC)C(=O)OCC)Cl |
| InChIKey | AYTVFKAUVOKZCQ-UHFFFAOYSA-N |
Product Overview
diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate (CAS 70539-54-7), with molecular formula C25H30Cl2N8O5 and molecular weight 592.17 g/mol. IUPAC: diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate
Property Insights of diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate. The TPSA of 189.0 Ų indicates high polarity, suggesting diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]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-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate?
The CAS number of diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate is 70539-54-7.
What is the molecular formula of diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate?
The molecular formula of diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate is C25H30Cl2N8O5.
What is the molecular weight of diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate?
The molecular weight of diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate is 592.17 g/mol.
Where can I buy diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate?
You can request a quote for diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]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-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.