RefChem:367010
TL;DR: RefChem:367010 (CAS 97719-98-7) is a chemical compound with molecular formula C11H10ClNO5 and molecular weight 271.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-nitro-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 4-Nitro-4-(chlorophenyl)bicycloorthocarboxylate, Orthobenzoic acid, p-chloro-, cyclic ester with 2-(hydroxymethyl)-2-nitro-1,3-propanediol, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-chlorophenyl)-4-nitro-, p-Chloroorthobenzoic acid cyclic ester with 2-(hydroxymethyl)-2-nitro-1,3-propanediol, 4-(4-chlorophenyl)-1-nitro-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C11H10ClNO5 |
|---|---|
| Molecular Weight | 271.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.02475 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 97719-98-7 |
|---|---|
| SMILES | C1C2(COC(O1)(OC2)C3=CC=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | MZVUYFUQZOWKLM-UHFFFAOYSA-N |
Product Overview
RefChem:367010 (CAS 97719-98-7), with molecular formula C11H10ClNO5 and molecular weight 271.02 g/mol. IUPAC: 1-(4-chlorophenyl)-4-nitro-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367010
Property Insights of RefChem:367010
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367010. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:367010. Following Lipinski's Rule of Five, RefChem:367010 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:367010?
The CAS number of RefChem:367010 is 97719-98-7.
What is the molecular formula of RefChem:367010?
The molecular formula of RefChem:367010 is C11H10ClNO5.
What is the molecular weight of RefChem:367010?
The molecular weight of RefChem:367010 is 271.02 g/mol.
Where can I buy RefChem:367010?
You can request a quote for RefChem:367010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367010?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.