ChemDiv1_017571
TL;DR: ChemDiv1_017571 (CAS 452086-85-0) is a chemical compound with molecular formula C17H17N5O6 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[7-(1,3-benzodioxol-5-ylmethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol
Also Known As: ChemDiv1_017571, F0917-7161, 3-[(7-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]propan-1-ol, 3-[[7-(1,3-benzodioxol-5-ylmethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol, 3-((7-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)propan-1-ol
| Molecular Formula | C17H17N5O6 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 2.2661 |
| Topological Polar Surface Area | 144.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.1179 |
| Heavy Atoms | 28 |
| Complexity | 1020.6858 |
Chemical Identifiers
| CAS Number | 452086-85-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO |
Product Overview
ChemDiv1_017571 (CAS 452086-85-0), with molecular formula C17H17N5O6 and molecular weight 387.12 g/mol. IUPAC: 3-[[7-(1,3-benzodioxol-5-ylmethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol.
Chemical Property Profile of ChemDiv1_017571
Property Insights of ChemDiv1_017571
The XLogP value of 2.2661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017571. The TPSA of 144.81 Ų indicates high polarity, suggesting ChemDiv1_017571 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_017571 has 3 hydrogen bond donor(s) and 10 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_017571?
The CAS number of ChemDiv1_017571 is 452086-85-0.
What is the molecular formula of ChemDiv1_017571?
The molecular formula of ChemDiv1_017571 is C17H17N5O6.
What is the molecular weight of ChemDiv1_017571?
The molecular weight of ChemDiv1_017571 is 387.12 g/mol.
Where can I buy ChemDiv1_017571?
You can request a quote for ChemDiv1_017571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017571?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.