5-Deazaaminopterin
TL;DR: 5-Deazaaminopterin (CAS 80360-09-4) is a chemical compound with molecular formula C20H21N7O5 and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Also Known As: 5-Deazaaminopterin, L-Glutamic acid, N-(4-(((2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)methyl)amino)benzoyl)-, n-(4-{[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl]amino}benzoyl)-l-glutamic acid, 2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid, N-[4-[(2,4-diaminopyrido[2,3-d]pyrimidine-6-yl)methylamino]benzoyl]-L-glutamic acid
| Molecular Formula | C20H21N7O5 |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.16043 |
| Heavy Atoms | 32 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 80360-09-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CC3=C(N=C(N=C3N=C2)N)N |
| InChIKey | QLPRLGAHKHCVEW-AWEZNQCLSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Deazaaminopterin (CAS 80360-09-4), with molecular formula C20H21N7O5 and molecular weight 439.16 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 5-Deazaaminopterin
Property Insights of 5-Deazaaminopterin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Deazaaminopterin. The TPSA of 206.0 Ų indicates high polarity, suggesting 5-Deazaaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Deazaaminopterin has 6 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 5-Deazaaminopterin?
The CAS number of 5-Deazaaminopterin is 80360-09-4.
What is the molecular formula of 5-Deazaaminopterin?
The molecular formula of 5-Deazaaminopterin is C20H21N7O5.
What is the molecular weight of 5-Deazaaminopterin?
The molecular weight of 5-Deazaaminopterin is 439.16 g/mol.
Where can I buy 5-Deazaaminopterin?
You can request a quote for 5-Deazaaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Deazaaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 5-Deazaaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.