5,10-Ethano-5,10-dideazaaminopterin
TL;DR: 5,10-Ethano-5,10-dideazaaminopterin (CAS 137465-07-7) is a chemical compound with molecular formula C23H24N6O5 and molecular weight 464.18082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-(1,3-diamino-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-8-yl)benzoyl]amino]pentanedioic acid
Also Known As: 5,10-Eddap, 5,10-Ethano-5,10-dideazaaminopterin, (2S)-2-[[4-(1,3-diamino-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-8-yl)benzoyl]amino]pentanedioic acid, (2S)-2-[(4-{1,3-DIAMINO-7H,8H,9H,10H-PYRIMIDO[4,5-C]ISOQUINOLIN-8-YL}PHENYL)FORMAMIDO]PENTANEDIOIC ACID, (S)-2-[4-[(1,3-Diamino-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin)-8-yl]benzoylamino]glutaric acid
Technical Specifications
| Molecular Formula | C23H24N6O5 |
| Molecular Weight | 464.18082 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.18082 Da |
| Heavy Atoms | 34 |
| Complexity | 760.0 |
| SMILES | C1CC2=C3C(=NC(=NC3=NC=C2CC1C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)N |
| InChIKey | TWQHKMFGGWXDNM-VYIIXAMBSA-N |
Chemical Property Profile of 5,10-Ethano-5,10-dideazaaminopterin
Property Insights of 5,10-Ethano-5,10-dideazaaminopterin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,10-Ethano-5,10-dideazaaminopterin. The TPSA of 194.0 Ų indicates high polarity, suggesting 5,10-Ethano-5,10-dideazaaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,10-Ethano-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
What is the CAS number of 5,10-Ethano-5,10-dideazaaminopterin?
The CAS number of 5,10-Ethano-5,10-dideazaaminopterin is 137465-07-7.
What is the molecular formula of 5,10-Ethano-5,10-dideazaaminopterin?
The molecular formula of 5,10-Ethano-5,10-dideazaaminopterin is C23H24N6O5.
What is the molecular weight of 5,10-Ethano-5,10-dideazaaminopterin?
The molecular weight of 5,10-Ethano-5,10-dideazaaminopterin is 464.18082 g/mol.
Where can I buy 5,10-Ethano-5,10-dideazaaminopterin?
You can request a quote for 5,10-Ethano-5,10-dideazaaminopterin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,10-Ethano-5,10-dideazaaminopterin?
Yes, CoreyChem provides custom synthesis services for 5,10-Ethano-5,10-dideazaaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.