RefChem:1058194
TL;DR: RefChem:1058194 (CAS 145296-55-5) is a chemical compound with molecular formula C22H31N3O7 and molecular weight 449.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-3-yl]-N,N-dimethylacetamide
Also Known As: 1H-Indole-3-acetamide, N,N-dimethyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (E)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-3-yl]-N,N-dimethylacetamide, RefChem:1058194
| Molecular Formula | C22H31N3O7 |
|---|---|
| Molecular Weight | 449.22 g/mol |
| LogP | 1.2481 |
| Topological Polar Surface Area | 152.19 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.2162 |
| Heavy Atoms | 32 |
| Complexity | 918.74744 |
Chemical Identifiers
| CAS Number | 145296-55-5 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC2=C1C(=CN2)CC(=O)N(C)C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058194 (CAS 145296-55-5), with molecular formula C22H31N3O7 and molecular weight 449.22 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-3-yl]-N,N-dimethylacetamide.
Chemical Property Profile of RefChem:1058194
Property Insights of RefChem:1058194
The XLogP value of 1.2481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058194. The TPSA of 152.19 Ų indicates high polarity, suggesting RefChem:1058194 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058194 has 5 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:1058194?
The CAS number of RefChem:1058194 is 145296-55-5.
What is the molecular formula of RefChem:1058194?
The molecular formula of RefChem:1058194 is C22H31N3O7.
What is the molecular weight of RefChem:1058194?
The molecular weight of RefChem:1058194 is 449.22 g/mol.
Where can I buy RefChem:1058194?
You can request a quote for RefChem:1058194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058194?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.