RefChem:1058190
TL;DR: RefChem:1058190 (CAS 77941-25-4) is a chemical compound with molecular formula C23H30N2O7 and molecular weight 446.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;methyl 3-methoxy-1-(3-piperidin-1-ylpropyl)indole-2-carboxylate
Also Known As: 1-(gamma-N-Piperidinopropyl)-2-methoxycarbonyl-3-methoxy-indol-maleinat [German], 1H-Indole-2-carboxylic acid, 3-methoxy-1-(3-(1-piperidinyl)propyl)-, methyl ester, (Z)-2-butenedioate, 1-(gamma-N-Piperidinopropyl)-2-methoxycarbonyl-3-methoxy-indol-maleinat, (E)-but-2-enedioic acid; methyl 3-methoxy-1-(3-piperidin-1-ylpropyl)indole-2-carboxylate, RefChem:1058190
| Molecular Formula | C23H30N2O7 |
|---|---|
| Molecular Weight | 446.21 g/mol |
| LogP | 3.0243 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.2053 |
| Heavy Atoms | 32 |
| Complexity | 942.65076 |
Chemical Identifiers
| CAS Number | 77941-25-4 |
|---|---|
| SMILES | COC1=C(N(C2=CC=CC=C21)CCCN3CCCCC3)C(=O)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058190 (CAS 77941-25-4), with molecular formula C23H30N2O7 and molecular weight 446.21 g/mol. IUPAC: (E)-but-2-enedioic acid;methyl 3-methoxy-1-(3-piperidin-1-ylpropyl)indole-2-carboxylate.
Chemical Property Profile of RefChem:1058190
Property Insights of RefChem:1058190
The XLogP value of 3.0243 indicates that RefChem:1058190 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058190. Following Lipinski's Rule of Five, RefChem:1058190 has 2 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:1058190?
The CAS number of RefChem:1058190 is 77941-25-4.
What is the molecular formula of RefChem:1058190?
The molecular formula of RefChem:1058190 is C23H30N2O7.
What is the molecular weight of RefChem:1058190?
The molecular weight of RefChem:1058190 is 446.21 g/mol.
Where can I buy RefChem:1058190?
You can request a quote for RefChem:1058190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058190?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.