RefChem:1052714
TL;DR: RefChem:1052714 (CAS 72156-41-3) is a chemical compound with molecular formula C26H34N2O8 and molecular weight 502.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine);(E)-but-2-enedioic acid
Also Known As: CRL 40599C, N-Isopropyl-piperonylamine fumarate, 2-PROPYL-2-ADAMANTANOL, N-Isopropyl-piperonylamine fumarate [French], 1,3-Benzodioxole-5-methanamine, N-(1-methylethyl)-, (E)-2-butenedioate (salt) (1:1)
| Molecular Formula | C26H34N2O8 |
|---|---|
| Molecular Weight | 502.23 g/mol |
| LogP | 3.5384 |
| Topological Polar Surface Area | 135.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.2315 |
| Heavy Atoms | 36 |
| Complexity | 955.0994 |
Chemical Identifiers
| CAS Number | 72156-41-3 |
|---|---|
| SMILES | CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052714 (CAS 72156-41-3), with molecular formula C26H34N2O8 and molecular weight 502.23 g/mol. IUPAC: bis(N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine);(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1052714
Property Insights of RefChem:1052714
The XLogP value of 3.5384 indicates that RefChem:1052714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.58 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052714. Following Lipinski's Rule of Five, RefChem:1052714 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1052714?
The CAS number of RefChem:1052714 is 72156-41-3.
What is the molecular formula of RefChem:1052714?
The molecular formula of RefChem:1052714 is C26H34N2O8.
What is the molecular weight of RefChem:1052714?
The molecular weight of RefChem:1052714 is 502.23 g/mol.
Where can I buy RefChem:1052714?
You can request a quote for RefChem:1052714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052714?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.