![Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate structure](/static/products/866/86688-51-9.png)
Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate
TL;DR: Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate (CAS 86688-51-9) is a chemical compound with molecular formula C36H32Cl2N8O9 and molecular weight 790.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(6-chloro-1,3-benzodioxol-5-yl)methyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Also Known As: Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate, bis[(6-chloro-1,3-benzodioxol-5-yl)methyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate, L-Glutamic acid,4-diamino-6-pteridinyl)methyl] methylamino]benzoyl]-, bis[(6-chloro-1,3-benzodioxol-5-yl) methyl] ester
| Molecular Formula | C36H32Cl2N8O9 |
|---|---|
| Molecular Weight | 790.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 790.16693 |
| Heavy Atoms | 55 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 86688-51-9 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)OCC4=CC5=C(C=C4Cl)OCO5)C(=O)OCC6=CC7=C(C=C6Cl)OCO7 |
| InChIKey | QLENXRLEKJEOSP-UHFFFAOYSA-N |
Product Overview
Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate (CAS 86688-51-9), with molecular formula C36H32Cl2N8O9 and molecular weight 790.17 g/mol. IUPAC: bis[(6-chloro-1,3-benzodioxol-5-yl)methyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate
Property Insights of Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate
The XLogP value of 4.1 indicates that Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.0 Ų indicates high polarity, suggesting Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate?
The CAS number of Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate is 86688-51-9.
What is the molecular formula of Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate?
The molecular formula of Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate is C36H32Cl2N8O9.
What is the molecular weight of Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate?
The molecular weight of Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate is 790.17 g/mol.
Where can I buy Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate?
You can request a quote for Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate?
Yes, KEHONG BIO provides custom synthesis services for Bis[(6-chloro-2H-1,3-benzodioxol-5-yl)methyl] N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.