ChemDiv1_007441
TL;DR: ChemDiv1_007441 (CAS 347340-21-0) is a chemical compound with molecular formula C19H18ClN3O5 and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
Also Known As: ChemDiv1_007441, MixCom6_002103, BIM-0040211.P001, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone, (4-(2-chloro-4-nitrophenyl)piperazin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone
| Molecular Formula | C19H18ClN3O5 |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 2.9818 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.0935 |
| Heavy Atoms | 28 |
| Complexity | 927.7803 |
Chemical Identifiers
| CAS Number | 347340-21-0 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
ChemDiv1_007441 (CAS 347340-21-0), with molecular formula C19H18ClN3O5 and molecular weight 403.09 g/mol. IUPAC: [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.
Chemical Property Profile of ChemDiv1_007441
Property Insights of ChemDiv1_007441
The XLogP value of 2.9818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007441. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007441. Following Lipinski's Rule of Five, ChemDiv1_007441 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 ChemDiv1_007441?
The CAS number of ChemDiv1_007441 is 347340-21-0.
What is the molecular formula of ChemDiv1_007441?
The molecular formula of ChemDiv1_007441 is C19H18ClN3O5.
What is the molecular weight of ChemDiv1_007441?
The molecular weight of ChemDiv1_007441 is 403.09 g/mol.
Where can I buy ChemDiv1_007441?
You can request a quote for ChemDiv1_007441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007441?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.