RefChem:367025
TL;DR: RefChem:367025 (CAS 97720-12-2) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-(4-Nitrophenyl)-4-isopropylbicycloorthocarboxylate, Orthobenzoic acid, p-nitro-, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, p-Nitroorthobenzoic acid cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-(1-methylethyl)-1-(4-nitrophenyl)-, 1-(4-Nitrophenyl)-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 97720-12-2 |
|---|---|
| SMILES | CC(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | XNMVSAPFRBBWAD-UHFFFAOYSA-N |
Product Overview
RefChem:367025 (CAS 97720-12-2), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: 1-(4-nitrophenyl)-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367025
Property Insights of RefChem:367025
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367025. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:367025. Following Lipinski's Rule of Five, RefChem:367025 has 0 hydrogen bond donor(s) and 5 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 RefChem:367025?
The CAS number of RefChem:367025 is 97720-12-2.
What is the molecular formula of RefChem:367025?
The molecular formula of RefChem:367025 is C14H17NO5.
What is the molecular weight of RefChem:367025?
The molecular weight of RefChem:367025 is 279.11 g/mol.
Where can I buy RefChem:367025?
You can request a quote for RefChem:367025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367025?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.