TDP-4815 free base
TL;DR: TDP-4815 free base (CAS 750554-29-1) is a chemical compound with molecular formula C20H25N3O7S2 and molecular weight 483.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[1-[(diaminomethylideneamino)oxymethyl]cyclopropyl]methoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate
Also Known As: TDP-4815 free base, Benzenesulfonic acid, 2-(methylsulfonyl)-, 3-((1-((((aminoiminomethyl)amino)oxy)methyl)cyclopropyl)methoxy)-5-methylphenyl ester, 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER, [3-[[1-[(diaminomethylideneamino)oxymethyl]cyclopropyl]methoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate, 3-({1-[({[(Z)-amino(imino)methyl]amino}oxy)methyl]cyclopropyl}methoxy)-5-methylphenyl 2-(methylsulfonyl)benzenesulfonate
| Molecular Formula | C20H25N3O7S2 |
|---|---|
| Molecular Weight | 483.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 483.1134 |
| Heavy Atoms | 32 |
| Complexity | 872.0 |
Chemical Identifiers
| CAS Number | 750554-29-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCC3(CC3)CON=C(N)N |
| InChIKey | FXPLUZROHGTSCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
TDP-4815 free base (CAS 750554-29-1), with molecular formula C20H25N3O7S2 and molecular weight 483.11 g/mol. IUPAC: [3-[[1-[(diaminomethylideneamino)oxymethyl]cyclopropyl]methoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate.
Chemical Property Profile of TDP-4815 free base
Property Insights of TDP-4815 free base
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TDP-4815 free base. The TPSA of 177.0 Ų indicates high polarity, suggesting TDP-4815 free base may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TDP-4815 free base has 2 hydrogen bond donor(s) and 8 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 TDP-4815 free base?
The CAS number of TDP-4815 free base is 750554-29-1.
What is the molecular formula of TDP-4815 free base?
The molecular formula of TDP-4815 free base is C20H25N3O7S2.
What is the molecular weight of TDP-4815 free base?
The molecular weight of TDP-4815 free base is 483.11 g/mol.
Where can I buy TDP-4815 free base?
You can request a quote for TDP-4815 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TDP-4815 free base?
Yes, KEHONG BIO provides custom synthesis services for TDP-4815 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.