RefChem:329198
TL;DR: RefChem:329198 (CAS 13083-72-2) is a chemical compound with molecular formula C24H36N2O4 and molecular weight 416.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate
Also Known As: p-Nitrobenzoato di 3-di-I-propilaminometil-2-bornanolo, p-Nitrobenzoato di 3-di-I-propilaminometil-2-bornanolo [Italian], 2-Bornanol, 3-((dipropylamino)methyl)-, p-nitrobenzoate (ester), Bicyclo(2.2.1)heptan-2-ol, 3-((bis(1-methylethyl)amino)methyl)-1,7,7-trimethyl-, 4-nitrobenzoate (ester), 3-{[Di(propan-2-yl)amino]methyl}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-nitrobenzoate
| Molecular Formula | C24H36N2O4 |
|---|---|
| Molecular Weight | 416.27 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.26752 |
| Heavy Atoms | 30 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 13083-72-2 |
|---|---|
| SMILES | CC(C)N(CC1C2CCC(C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C2(C)C)C)C(C)C |
| InChIKey | PRPXHMPOKLMIEX-UHFFFAOYSA-N |
Product Overview
RefChem:329198 (CAS 13083-72-2), with molecular formula C24H36N2O4 and molecular weight 416.27 g/mol. IUPAC: [3-[[di(propan-2-yl)amino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate.
Chemical Property Profile of RefChem:329198
Property Insights of RefChem:329198
The XLogP value of 6.1 indicates that RefChem:329198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:329198. Following Lipinski's Rule of Five, RefChem:329198 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:329198?
The CAS number of RefChem:329198 is 13083-72-2.
What is the molecular formula of RefChem:329198?
The molecular formula of RefChem:329198 is C24H36N2O4.
What is the molecular weight of RefChem:329198?
The molecular weight of RefChem:329198 is 416.27 g/mol.
Where can I buy RefChem:329198?
You can request a quote for RefChem:329198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:329198?
Yes, KEHONG BIO provides custom synthesis services for RefChem:329198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.