5,10-Dideazaaminopterin
TL;DR: 5,10-Dideazaaminopterin (CAS 95674-53-6) is a chemical compound with molecular formula C21H22N6O5 and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
Also Known As: 5,10-Dideazaaminopterin, (2S)-2-[[4-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid, (4-(2-(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)ethyl)benzoyl)-L-glutamic acid, N-(4-(2-(2,4-Diaminopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-L-glutamic aid, L-Glutamic aid, N-(4-(2-(2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-
| Molecular Formula | C21H22N6O5 |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.16516 |
| Heavy Atoms | 32 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 95674-53-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=CC3=C(N=C(N=C3N=C2)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | RGUQKUKRLMXLCM-HNNXBMFYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,10-Dideazaaminopterin (CAS 95674-53-6), with molecular formula C21H22N6O5 and molecular weight 438.17 g/mol. IUPAC: (2S)-2-[[4-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 5,10-Dideazaaminopterin
Property Insights of 5,10-Dideazaaminopterin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,10-Dideazaaminopterin. The TPSA of 194.0 Ų indicates high polarity, suggesting 5,10-Dideazaaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,10-Dideazaaminopterin has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,10-Dideazaaminopterin?
The CAS number of 5,10-Dideazaaminopterin is 95674-53-6.
What is the molecular formula of 5,10-Dideazaaminopterin?
The molecular formula of 5,10-Dideazaaminopterin is C21H22N6O5.
What is the molecular weight of 5,10-Dideazaaminopterin?
The molecular weight of 5,10-Dideazaaminopterin is 438.17 g/mol.
Where can I buy 5,10-Dideazaaminopterin?
You can request a quote for 5,10-Dideazaaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,10-Dideazaaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 5,10-Dideazaaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.