RefChem:1056930
TL;DR: RefChem:1056930 (CAS 98696-67-4) is a chemical compound with molecular formula C24H32N2O7 and molecular weight 460.22 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-(propylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one
Also Known As: 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-(1-methyl-1H-pyrrol-2-yl)-, (E)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one, RefChem:1056930
| Molecular Formula | C24H32N2O7 |
|---|---|
| Molecular Weight | 460.22 g/mol |
| LogP | 2.2917 |
| Topological Polar Surface Area | 138.09 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 460.22095 |
| Heavy Atoms | 33 |
| Complexity | 905.0415 |
Chemical Identifiers
| CAS Number | 98696-67-4 |
|---|---|
| SMILES | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CN2C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056930 (CAS 98696-67-4), with molecular formula C24H32N2O7 and molecular weight 460.22 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-(1-methylpyrrol-2-yl)propan-1-one.
Chemical Property Profile of RefChem:1056930
Property Insights of RefChem:1056930
The XLogP value of 2.2917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056930. The TPSA of 138.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056930. Following Lipinski's Rule of Five, RefChem:1056930 has 4 hydrogen bond donor(s) and 6 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:1056930?
The CAS number of RefChem:1056930 is 98696-67-4.
What is the molecular formula of RefChem:1056930?
The molecular formula of RefChem:1056930 is C24H32N2O7.
What is the molecular weight of RefChem:1056930?
The molecular weight of RefChem:1056930 is 460.22 g/mol.
Where can I buy RefChem:1056930?
You can request a quote for RefChem:1056930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056930?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.