Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine
TL;DR: Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine (CAS 34078-65-4) is a chemical compound with molecular formula C53H86N9O12P and molecular weight 1071.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[2-[2,3-di(tetradecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-5-oxopentanoic acid
Also Known As: Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine, n2-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-n-[4-hydroxy-4-oxido-10-oxo-7-(tetradecanoyloxy)-3,5,9-trioxa-4, E5-phosphatricos-1-yl]-l-glutamine, (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[2-[2,3-di(tetradecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-5-oxopentanoic acid, (2S)-4-{[2-({[2,3-bis(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)ethyl]carbamoyl}-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]butanoic acid
| Molecular Formula | C53H86N9O12P |
|---|---|
| Molecular Weight | 1071.61 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 311.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 45 |
| Exact Mass | 1071.6134 |
| Heavy Atoms | 75 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 34078-65-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N)OC(=O)CCCCCCCCCCCCC |
| InChIKey | BPKPCWWIZKJGRK-GGEHFJKESA-N |
Product Overview
Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine (CAS 34078-65-4), with molecular formula C53H86N9O12P and molecular weight 1071.61 g/mol. IUPAC: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[2-[2,3-di(tetradecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-5-oxopentanoic acid.
Chemical Property Profile of Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine
Property Insights of Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine
The XLogP value of 9.0 indicates that Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 311.0 Ų indicates high polarity, suggesting Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine has 6 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine?
The CAS number of Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine is 34078-65-4.
What is the molecular formula of Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine?
The molecular formula of Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine is C53H86N9O12P.
What is the molecular weight of Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine?
The molecular weight of Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine is 1071.61 g/mol.
Where can I buy Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine?
You can request a quote for Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine?
Yes, KEHONG BIO provides custom synthesis services for Methotrexate-gamma-1,2-dimyristoylphosphatidylethanolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.