gamma-Methylene-10-deazaaminopterin
TL;DR: gamma-Methylene-10-deazaaminopterin (CAS 176857-41-3) is a chemical compound with molecular formula C21H21N7O5 and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid
Also Known As: L-MDAM, MDAM, GAMMA-METHYLENE-10-DEAZAAMINOPTERIN, 3-Phenyl-4-methylen-oxazolidon-(2), .GAMMA.-METHYLENE-10-DEAZAAMINOPTERIN
| Molecular Formula | C21H21N7O5 |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 0.5833 |
| Topological Polar Surface Area | 207.3 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.16043 |
| Heavy Atoms | 33 |
| Complexity | 1243.7322 |
Chemical Identifiers
| CAS Number | 176857-41-3 |
|---|---|
| SMILES | C=C(C[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O |
Product Overview
gamma-Methylene-10-deazaaminopterin (CAS 176857-41-3), with molecular formula C21H21N7O5 and molecular weight 451.16 g/mol. IUPAC: (2S)-2-[[4-[2-(2,4-diaminopteridin-6-yl)ethyl]benzoyl]amino]-4-methylidenepentanedioic acid.
Chemical Property Profile of gamma-Methylene-10-deazaaminopterin
Property Insights of gamma-Methylene-10-deazaaminopterin
The XLogP value of 0.5833 suggests moderate lipophilicity, balancing water solubility and membrane permeability for gamma-Methylene-10-deazaaminopterin. The TPSA of 207.3 Ų indicates high polarity, suggesting gamma-Methylene-10-deazaaminopterin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, gamma-Methylene-10-deazaaminopterin has 5 hydrogen bond donor(s) and 9 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 gamma-Methylene-10-deazaaminopterin?
The CAS number of gamma-Methylene-10-deazaaminopterin is 176857-41-3.
What is the molecular formula of gamma-Methylene-10-deazaaminopterin?
The molecular formula of gamma-Methylene-10-deazaaminopterin is C21H21N7O5.
What is the molecular weight of gamma-Methylene-10-deazaaminopterin?
The molecular weight of gamma-Methylene-10-deazaaminopterin is 451.16 g/mol.
Where can I buy gamma-Methylene-10-deazaaminopterin?
You can request a quote for gamma-Methylene-10-deazaaminopterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gamma-Methylene-10-deazaaminopterin?
Yes, KEHONG BIO provides custom synthesis services for gamma-Methylene-10-deazaaminopterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.