RefChem:1063449
TL;DR: RefChem:1063449 (CAS 101692-44-8) is a chemical compound with molecular formula C27H35NO8 and molecular weight 501.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 1-Diethylamino-3-(p-ethoxyphenyl)indan citrate, 1-p-Aethoxyphenyl-3-diaethylamino-indan citrat, Indan, 1-(diethylamino)-3-(p-ethoxyphenyl)-, citrate, 1-p-Aethoxyphenyl-3-diaethylamino-indan citrat [German], 2-Hydroxypropane-1,2,3-tricarboxylic acid--3-(4-ethoxyphenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine (1/1)
| Molecular Formula | C27H35NO8 |
|---|---|
| Molecular Weight | 501.24 g/mol |
| LogP | 3.7553 |
| Topological Polar Surface Area | 144.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 501.23627 |
| Heavy Atoms | 36 |
| Complexity | 1016.3241 |
Chemical Identifiers
| CAS Number | 101692-44-8 |
|---|---|
| SMILES | CCN(CC)C1CC(C2=CC=CC=C12)C3=CC=C(C=C3)OCC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
RefChem:1063449 (CAS 101692-44-8), with molecular formula C27H35NO8 and molecular weight 501.24 g/mol. IUPAC: 3-(4-ethoxyphenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of RefChem:1063449
Property Insights of RefChem:1063449
The XLogP value of 3.7553 indicates that RefChem:1063449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.6 Ų indicates high polarity, suggesting RefChem:1063449 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063449 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1063449?
The CAS number of RefChem:1063449 is 101692-44-8.
What is the molecular formula of RefChem:1063449?
The molecular formula of RefChem:1063449 is C27H35NO8.
What is the molecular weight of RefChem:1063449?
The molecular weight of RefChem:1063449 is 501.24 g/mol.
Where can I buy RefChem:1063449?
You can request a quote for RefChem:1063449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063449?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.