Opera_ID_752
TL;DR: Opera_ID_752 (CAS 354993-92-3) is a chemical compound with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-butoxy-7-methyl-3-oxidopyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone
Also Known As: AJ-292/14298013, 1-(6-butoxy-7-methyl-3-oxido-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl)ethanone, 1-(6-butoxy-7-methyl-3-oxidopyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone, Opera_ID_752
| Molecular Formula | C15H17N3O4 |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 2.15562 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.12192 |
| Heavy Atoms | 22 |
| Complexity | 862.78876 |
Chemical Identifiers
| CAS Number | 354993-92-3 |
|---|---|
| SMILES | CCCCON1C(=C(C2=C1C=CC3=[N+](ON=C32)[O-])C(=O)C)C |
Product Overview
Opera_ID_752 (CAS 354993-92-3), with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol. IUPAC: 1-(6-butoxy-7-methyl-3-oxidopyrrolo[2,3-g][2,1,3]benzoxadiazol-3-ium-8-yl)ethanone.
Chemical Property Profile of Opera_ID_752
Property Insights of Opera_ID_752
The XLogP value of 2.15562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Opera_ID_752. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_752. Following Lipinski's Rule of Five, Opera_ID_752 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 Opera_ID_752?
The CAS number of Opera_ID_752 is 354993-92-3.
What is the molecular formula of Opera_ID_752?
The molecular formula of Opera_ID_752 is C15H17N3O4.
What is the molecular weight of Opera_ID_752?
The molecular weight of Opera_ID_752 is 303.12 g/mol.
Where can I buy Opera_ID_752?
You can request a quote for Opera_ID_752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_752?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.