Nitrothal-isopropyl
TL;DR: Nitrothal-isopropyl (CAS 10552-74-6) is a chemical compound with molecular formula C14H17NO6 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate
Also Known As: Nitrothal-isopropyl, Nitrothale-isopropyl, Pallitop, Nitrothol isopropyl, Diisopropyl 5-nitroisophthalate
| Molecular Formula | C14H17NO6 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1056 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 10552-74-6 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C |
| InChIKey | VJAWBEFMCIINFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitrothal-isopropyl (CAS 10552-74-6), with molecular formula C14H17NO6 and molecular weight 295.11 g/mol. IUPAC: dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate.
Chemical Property Profile of Nitrothal-isopropyl
Property Insights of Nitrothal-isopropyl
The XLogP value of 3.1 indicates that Nitrothal-isopropyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrothal-isopropyl. Following Lipinski's Rule of Five, Nitrothal-isopropyl has 0 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 Nitrothal-isopropyl?
The CAS number of Nitrothal-isopropyl is 10552-74-6.
What is the molecular formula of Nitrothal-isopropyl?
The molecular formula of Nitrothal-isopropyl is C14H17NO6.
What is the molecular weight of Nitrothal-isopropyl?
The molecular weight of Nitrothal-isopropyl is 295.11 g/mol.
Where can I buy Nitrothal-isopropyl?
You can request a quote for Nitrothal-isopropyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrothal-isopropyl?
Yes, KEHONG BIO provides custom synthesis services for Nitrothal-isopropyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.