![2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid structure](/static/products/7028/70280-74-9.webp)
2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid
TL;DR: 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid (CAS 70280-74-9) is a chemical compound with molecular formula C21H22Cl2N8O5 and molecular weight 536.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid
Also Known As: 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid, L-Glutamic acid,5-dichloro-4-[[(2,4-diamino-6-pteridinyl)methyl]ethylamino]benzoyl]-, N-(3,5-Dichloro-4-{[(2,4-diaminopteridin-6-yl)methyl](ethyl)amino}benzoyl)glutamic acid
| Molecular Formula | C21H22Cl2N8O5 |
|---|---|
| Molecular Weight | 536.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 536.109 |
| Heavy Atoms | 36 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 70280-74-9 |
|---|---|
| SMILES | CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl |
| InChIKey | RUSBCHWNOCHWHN-UHFFFAOYSA-N |
Product Overview
2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid (CAS 70280-74-9), with molecular formula C21H22Cl2N8O5 and molecular weight 536.11 g/mol. IUPAC: 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid
Property Insights of 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid. The TPSA of 211.0 Ų indicates high polarity, suggesting 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid has 5 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 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid?
The CAS number of 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid is 70280-74-9.
What is the molecular formula of 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid?
The molecular formula of 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid is C21H22Cl2N8O5.
What is the molecular weight of 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid?
The molecular weight of 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid is 536.11 g/mol.
Where can I buy 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid?
You can request a quote for 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]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-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.