CRL 40599F
TL;DR: CRL 40599F (CAS 72156-44-6) is a chemical compound with molecular formula C39H53N3O13 and molecular weight 771.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine);2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: CRL 40599F, N-Isopropyl-piperonylamine citrate, N-Isopropyl-piperonylamine citrate [French], C11H14NO2.1/3C6H8O7, C11-H14-N-O2.1/3C6-H8-O7
| Molecular Formula | C39H53N3O13 |
|---|---|
| Molecular Weight | 771.36 g/mol |
| LogP | 4.4914 |
| Topological Polar Surface Area | 223.6 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 771.35785 |
| Heavy Atoms | 55 |
| Complexity | 1542.4763 |
Chemical Identifiers
| CAS Number | 72156-44-6 |
|---|---|
| SMILES | CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.CC(C)NCC1=CC2=C(C=C1)OCO2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
CRL 40599F (CAS 72156-44-6), with molecular formula C39H53N3O13 and molecular weight 771.36 g/mol. IUPAC: tris(N-(1,3-benzodioxol-5-ylmethyl)propan-2-amine);2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of CRL 40599F
Property Insights of CRL 40599F
The XLogP value of 4.4914 indicates that CRL 40599F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 223.6 Ų indicates high polarity, suggesting CRL 40599F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CRL 40599F has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CRL 40599F?
The CAS number of CRL 40599F is 72156-44-6.
What is the molecular formula of CRL 40599F?
The molecular formula of CRL 40599F is C39H53N3O13.
What is the molecular weight of CRL 40599F?
The molecular weight of CRL 40599F is 771.36 g/mol.
Where can I buy CRL 40599F?
You can request a quote for CRL 40599F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CRL 40599F?
Yes, KEHONG BIO provides custom synthesis services for CRL 40599F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.