Dioleoylmethotrexate
TL;DR: Dioleoylmethotrexate (CAS 141456-07-7) is a chemical compound with molecular formula C56H86N8O7 and molecular weight 982.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctadec-9-enoyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Also Known As: Dioleoylmethotrexate, L-Glutamic acid,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, dianhydride with9-octadecenoic acid, (Z,Z)- (9CI)
| Molecular Formula | C56H86N8O7 |
|---|---|
| Molecular Weight | 982.66 g/mol |
| LogP | 14.8 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 43 |
| Exact Mass | 982.6619 |
| Heavy Atoms | 71 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 141456-07-7 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCC(C(=O)OC(=O)CCCCCCCC=CCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | CEXMEEOLEIGTPF-UHFFFAOYSA-N |
Product Overview
Dioleoylmethotrexate (CAS 141456-07-7), with molecular formula C56H86N8O7 and molecular weight 982.66 g/mol. IUPAC: dioctadec-9-enoyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of Dioleoylmethotrexate
Property Insights of Dioleoylmethotrexate
The XLogP value of 14.8 indicates that Dioleoylmethotrexate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 223.0 Ų indicates high polarity, suggesting Dioleoylmethotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dioleoylmethotrexate has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dioleoylmethotrexate?
The CAS number of Dioleoylmethotrexate is 141456-07-7.
What is the molecular formula of Dioleoylmethotrexate?
The molecular formula of Dioleoylmethotrexate is C56H86N8O7.
What is the molecular weight of Dioleoylmethotrexate?
The molecular weight of Dioleoylmethotrexate is 982.66 g/mol.
Where can I buy Dioleoylmethotrexate?
You can request a quote for Dioleoylmethotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioleoylmethotrexate?
Yes, KEHONG BIO provides custom synthesis services for Dioleoylmethotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.