1,3-Di(hydroxyimino)isoquinoline
TL;DR: 1,3-Di(hydroxyimino)isoquinoline (CAS 41536-78-1) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(hydroxyamino)-4H-isoquinolin-1-ylidene]hydroxylamine
Also Known As: 1,3 -Isoquinolinedionedioxime, 1,3-Di(hydroxyimino)isoquinoline, 4H-Isoquinoline-1,3-dione dioxime, 1,3(2H,4H)-Isoquinolinedione, dioxime
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 77.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 41536-78-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=NO)N=C1NO |
| InChIKey | MDULFKCMZSNBSY-UHFFFAOYSA-N |
Product Overview
1,3-Di(hydroxyimino)isoquinoline (CAS 41536-78-1), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: N-[3-(hydroxyamino)-4H-isoquinolin-1-ylidene]hydroxylamine.
Chemical Property Profile of 1,3-Di(hydroxyimino)isoquinoline
Property Insights of 1,3-Di(hydroxyimino)isoquinoline
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Di(hydroxyimino)isoquinoline. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Di(hydroxyimino)isoquinoline. Following Lipinski's Rule of Five, 1,3-Di(hydroxyimino)isoquinoline has 3 hydrogen bond donor(s) and 3 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 1,3-Di(hydroxyimino)isoquinoline?
The CAS number of 1,3-Di(hydroxyimino)isoquinoline is 41536-78-1.
What is the molecular formula of 1,3-Di(hydroxyimino)isoquinoline?
The molecular formula of 1,3-Di(hydroxyimino)isoquinoline is C9H9N3O2.
What is the molecular weight of 1,3-Di(hydroxyimino)isoquinoline?
The molecular weight of 1,3-Di(hydroxyimino)isoquinoline is 191.07 g/mol.
Where can I buy 1,3-Di(hydroxyimino)isoquinoline?
You can request a quote for 1,3-Di(hydroxyimino)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Di(hydroxyimino)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Di(hydroxyimino)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.