RefChem:1077942
TL;DR: RefChem:1077942 (CAS 129323-49-5) is a chemical compound with molecular formula C27H33N3O6 and molecular weight 495.24 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-(tert-butylamino)butoxy]-N-(1H-indol-4-yl)benzamide
Also Known As: 2-(4-((1,1-Dimethylethyl)amino)butoxy)-N-1H-indol-4-ylbenzamide (E)-2-butenedioate, Benzamide, 2-(4-((1,1-dimethylethyl)amino)butoxy)-N-1H-indol-4-yl-, (E)-2-butenedioate, 2-(4-(1,1-Dimethylethylamino)butoxy)-N-(1H-indol-4-yl)benzamide fumarate, (E)-but-2-enedioic acid; 2-[4-(tert-butylamino)butoxy]-N-(1H-indol-4-yl)benzamide, RefChem:1077942
| Molecular Formula | C27H33N3O6 |
|---|---|
| Molecular Weight | 495.24 g/mol |
| LogP | 4.6791 |
| Topological Polar Surface Area | 140.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 495.23694 |
| Heavy Atoms | 36 |
| Complexity | 1177.4371 |
Chemical Identifiers
| CAS Number | 129323-49-5 |
|---|---|
| SMILES | CC(C)(C)NCCCCOC1=CC=CC=C1C(=O)NC2=CC=CC3=C2C=CN3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1077942 (CAS 129323-49-5), with molecular formula C27H33N3O6 and molecular weight 495.24 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(tert-butylamino)butoxy]-N-(1H-indol-4-yl)benzamide.
Chemical Property Profile of RefChem:1077942
Property Insights of RefChem:1077942
The XLogP value of 4.6791 indicates that RefChem:1077942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.75 Ų indicates high polarity, suggesting RefChem:1077942 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077942 has 5 hydrogen bond donor(s) and 5 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:1077942?
The CAS number of RefChem:1077942 is 129323-49-5.
What is the molecular formula of RefChem:1077942?
The molecular formula of RefChem:1077942 is C27H33N3O6.
What is the molecular weight of RefChem:1077942?
The molecular weight of RefChem:1077942 is 495.24 g/mol.
Where can I buy RefChem:1077942?
You can request a quote for RefChem:1077942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077942?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.