RefChem:1056933
TL;DR: RefChem:1056933 (CAS 98707-77-8) is a chemical compound with molecular formula C25H35N3O7 and molecular weight 489.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one
Also Known As: 1-Propanone, 1-(2-(3-((1,1-dimethylpropyl)amino)-2-hydroxypropoxy)phenyl)-3-(1-methyl-1H-pyrazol-4-yl)-, (E)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 1-[2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one, RefChem:1056933
| Molecular Formula | C25H35N3O7 |
|---|---|
| Molecular Weight | 489.25 g/mol |
| LogP | 2.4653 |
| Topological Polar Surface Area | 150.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 489.2475 |
| Heavy Atoms | 35 |
| Complexity | 982.4516 |
Chemical Identifiers
| CAS Number | 98707-77-8 |
|---|---|
| SMILES | CCC(C)(C)NCC(COC1=CC=CC=C1C(=O)CCC2=CN(N=C2)C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056933 (CAS 98707-77-8), with molecular formula C25H35N3O7 and molecular weight 489.25 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one.
Chemical Property Profile of RefChem:1056933
Property Insights of RefChem:1056933
The XLogP value of 2.4653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056933. The TPSA of 150.98 Ų indicates high polarity, suggesting RefChem:1056933 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056933 has 4 hydrogen bond donor(s) and 7 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 RefChem:1056933?
The CAS number of RefChem:1056933 is 98707-77-8.
What is the molecular formula of RefChem:1056933?
The molecular formula of RefChem:1056933 is C25H35N3O7.
What is the molecular weight of RefChem:1056933?
The molecular weight of RefChem:1056933 is 489.25 g/mol.
Where can I buy RefChem:1056933?
You can request a quote for RefChem:1056933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056933?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.