4'-Methylene-5,8,10-trideazaaminopterin
TL;DR: 4'-Methylene-5,8,10-trideazaaminopterin (CAS 238074-89-0) is a chemical compound with molecular formula C23H23N5O5 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid
Also Known As: MobileTrex, M-Trex, Tridam, 4'-methylene-5,8,10-trideazaaminopterin, CH 1504
| Molecular Formula | C23H23N5O5 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 1.7933 |
| Topological Polar Surface Area | 181.52 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.16992 |
| Heavy Atoms | 33 |
| Complexity | 1239.9707 |
Chemical Identifiers
| CAS Number | 238074-89-0 |
|---|---|
| SMILES | C=C(CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)O |
Product Overview
4'-Methylene-5,8,10-trideazaaminopterin (CAS 238074-89-0), with molecular formula C23H23N5O5 and molecular weight 449.17 g/mol. IUPAC: 2-[[4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid.
Chemical Property Profile of 4'-Methylene-5,8,10-trideazaaminopterin
Property Insights of 4'-Methylene-5,8,10-trideazaaminopterin
The XLogP value of 1.7933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methylene-5,8,10-trideazaaminopterin. The TPSA of 181.52 Ų indicates high polarity, suggesting 4'-Methylene-5,8,10-trideazaaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Methylene-5,8,10-trideazaaminopterin has 5 hydrogen bond donor(s) and 7 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 4'-Methylene-5,8,10-trideazaaminopterin?
The CAS number of 4'-Methylene-5,8,10-trideazaaminopterin is 238074-89-0.
What is the molecular formula of 4'-Methylene-5,8,10-trideazaaminopterin?
The molecular formula of 4'-Methylene-5,8,10-trideazaaminopterin is C23H23N5O5.
What is the molecular weight of 4'-Methylene-5,8,10-trideazaaminopterin?
The molecular weight of 4'-Methylene-5,8,10-trideazaaminopterin is 449.17 g/mol.
Where can I buy 4'-Methylene-5,8,10-trideazaaminopterin?
You can request a quote for 4'-Methylene-5,8,10-trideazaaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylene-5,8,10-trideazaaminopterin?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylene-5,8,10-trideazaaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.