Dipropyl methotrexate
TL;DR: Dipropyl methotrexate (CAS 50714-20-0) is a chemical compound with molecular formula C26H34N8O5 and molecular weight 538.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Also Known As: Dipropyl methotrexate, L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, dipropyl ester, Dipropyl N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamate, Dipropyl N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamate, 1,5-dipropyl (2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioate
| Molecular Formula | C26H34N8O5 |
|---|---|
| Molecular Weight | 538.27 g/mol |
| LogP | 2.0056 |
| Topological Polar Surface Area | 188.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 538.2652 |
| Heavy Atoms | 39 |
| Complexity | 1301.4976 |
Chemical Identifiers
| CAS Number | 50714-20-0 |
|---|---|
| SMILES | CCCOC(=O)CC[C@@H](C(=O)OCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
Product Overview
Dipropyl methotrexate (CAS 50714-20-0), with molecular formula C26H34N8O5 and molecular weight 538.27 g/mol. IUPAC: dipropyl (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of Dipropyl methotrexate
Property Insights of Dipropyl methotrexate
The XLogP value of 2.0056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dipropyl methotrexate. The TPSA of 188.54 Ų indicates high polarity, suggesting Dipropyl methotrexate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dipropyl methotrexate has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dipropyl methotrexate?
The CAS number of Dipropyl methotrexate is 50714-20-0.
What is the molecular formula of Dipropyl methotrexate?
The molecular formula of Dipropyl methotrexate is C26H34N8O5.
What is the molecular weight of Dipropyl methotrexate?
The molecular weight of Dipropyl methotrexate is 538.27 g/mol.
Where can I buy Dipropyl methotrexate?
You can request a quote for Dipropyl methotrexate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipropyl methotrexate?
Yes, KEHONG BIO provides custom synthesis services for Dipropyl methotrexate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.