U 78517F
TL;DR: U 78517F (CAS 133681-84-2) is a chemical compound with molecular formula C30H46Cl2N6O2 and molecular weight 592.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;dihydrochloride
Also Known As: 2-Methyl aminochroman, Troloxamine, u-83836e, U-83836 dihydrochloride, 2-MAC
| Molecular Formula | C30H46Cl2N6O2 |
|---|---|
| Molecular Weight | 592.31 g/mol |
| LogP | 5.06 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 592.3059 |
| Heavy Atoms | 40 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 133681-84-2 |
|---|---|
| SMILES | CC1=C(C2=C(CCC(O2)(C)CN3CCN(CC3)C4=NC(=NC(=C4)N5CCCC5)N6CCCC6)C(=C1O)C)C.Cl.Cl |
| InChIKey | KJGXSMZHYBXPIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
U 78517F (CAS 133681-84-2), with molecular formula C30H46Cl2N6O2 and molecular weight 592.31 g/mol. IUPAC: 2-[[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol;dihydrochloride.
Chemical Property Profile of U 78517F
Property Insights of U 78517F
The XLogP value of 5.06 indicates that U 78517F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for U 78517F. Following Lipinski's Rule of Five, U 78517F has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of U 78517F?
The CAS number of U 78517F is 133681-84-2.
What is the molecular formula of U 78517F?
The molecular formula of U 78517F is C30H46Cl2N6O2.
What is the molecular weight of U 78517F?
The molecular weight of U 78517F is 592.31 g/mol.
Where can I buy U 78517F?
You can request a quote for U 78517F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U 78517F?
Yes, KEHONG BIO provides custom synthesis services for U 78517F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.