Dbmtx
TL;DR: Dbmtx (CAS 86669-33-2) is a chemical compound with molecular formula C28H38N8O5 and molecular weight 566.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Also Known As: Dbmtx, Methotrexate dibutyl esters, Methotrexate di-n-butyl ester, Di-tert-butyl N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamate, DITERT-BUTYL 2-[[4-[(2,4-DIAMINOPTERIDIN-6-YL)METHYL-METHYL-AMINO]BENZOYL]AMINO]PENTANEDIOATE
| Molecular Formula | C28H38N8O5 |
|---|---|
| Molecular Weight | 566.30 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 566.2965 |
| Heavy Atoms | 41 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 86669-33-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | PPVHSXJZSPOWMU-UHFFFAOYSA-N |
Product Overview
Dbmtx (CAS 86669-33-2), with molecular formula C28H38N8O5 and molecular weight 566.30 g/mol. IUPAC: ditert-butyl 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of Dbmtx
Property Insights of Dbmtx
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dbmtx. The TPSA of 189.0 Ų indicates high polarity, suggesting Dbmtx may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dbmtx 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 Dbmtx?
The CAS number of Dbmtx is 86669-33-2.
What is the molecular formula of Dbmtx?
The molecular formula of Dbmtx is C28H38N8O5.
What is the molecular weight of Dbmtx?
The molecular weight of Dbmtx is 566.30 g/mol.
Where can I buy Dbmtx?
You can request a quote for Dbmtx directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dbmtx?
Yes, KEHONG BIO provides custom synthesis services for Dbmtx and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.