10-Ethyl-5-methyl-5,10-dideazaaminopterin
TL;DR: 10-Ethyl-5-methyl-5,10-dideazaaminopterin (CAS 139504-90-8) is a chemical compound with molecular formula C24H28N6O5 and molecular weight 480.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[1-(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid
Also Known As: 10-Emdda, 10-Ethyl-5-methyl-5,10-dideazaaminopterin, N-(4-(1-((2,4-Diamino-5-methylpyrido(2,3-d)pyrimidin-6-yl)methyl)propyl)benzoyl)-L-glutamic acid, (2S)-2-[[4-[1-(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid, (2S)-2-{[4-(1-{2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDIN-6-YL}BUTAN-2-YL)PHENYL]FORMAMIDO}PENTANEDIOIC ACID
| Molecular Formula | C24H28N6O5 |
|---|---|
| Molecular Weight | 480.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 480.21213 |
| Heavy Atoms | 35 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 139504-90-8 |
|---|---|
| SMILES | CCC(CC1=CN=C2C(=C1C)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | NTDTUJSFGRIWAK-RUINGEJQSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10-Ethyl-5-methyl-5,10-dideazaaminopterin (CAS 139504-90-8), with molecular formula C24H28N6O5 and molecular weight 480.21 g/mol. IUPAC: (2S)-2-[[4-[1-(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid.
Chemical Property Profile of 10-Ethyl-5-methyl-5,10-dideazaaminopterin
Property Insights of 10-Ethyl-5-methyl-5,10-dideazaaminopterin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Ethyl-5-methyl-5,10-dideazaaminopterin. The TPSA of 194.0 Ų indicates high polarity, suggesting 10-Ethyl-5-methyl-5,10-dideazaaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Ethyl-5-methyl-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 10-Ethyl-5-methyl-5,10-dideazaaminopterin?
The CAS number of 10-Ethyl-5-methyl-5,10-dideazaaminopterin is 139504-90-8.
What is the molecular formula of 10-Ethyl-5-methyl-5,10-dideazaaminopterin?
The molecular formula of 10-Ethyl-5-methyl-5,10-dideazaaminopterin is C24H28N6O5.
What is the molecular weight of 10-Ethyl-5-methyl-5,10-dideazaaminopterin?
The molecular weight of 10-Ethyl-5-methyl-5,10-dideazaaminopterin is 480.21 g/mol.
Where can I buy 10-Ethyl-5-methyl-5,10-dideazaaminopterin?
You can request a quote for 10-Ethyl-5-methyl-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 10-Ethyl-5-methyl-5,10-dideazaaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 10-Ethyl-5-methyl-5,10-dideazaaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.