![(2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea structure](/static/products/522/522659-88-7.png)
(2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea
TL;DR: (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea (CAS 522659-88-7) is a chemical compound with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea
Also Known As: (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea, (1E)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone, (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)hydrazinecarbothioamide, (E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ylidene)hydrazinecarbothioamide, 2-[8-METHOXY-4,4,6-TRIMETHYL-2-OXO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-1(2H)-YLIDEN]-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C16H18N4O2S |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.11505 |
| Heavy Atoms | 23 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 522659-88-7 |
|---|---|
| SMILES | CC1=CC(N2C3=C(C=C(C=C13)OC)C(=C2O)N=NC(=S)N)(C)C |
| InChIKey | NMPRKKRYIYTRDX-UHFFFAOYSA-N |
Product Overview
(2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea (CAS 522659-88-7), with molecular formula C16H18N4O2S and molecular weight 330.12 g/mol. IUPAC: (2-hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea.
Chemical Property Profile of (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea
Property Insights of (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea. Following Lipinski's Rule of Five, (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea has 2 hydrogen bond donor(s) and 4 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 (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea?
The CAS number of (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea is 522659-88-7.
What is the molecular formula of (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea?
The molecular formula of (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea is C16H18N4O2S.
What is the molecular weight of (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea?
The molecular weight of (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea is 330.12 g/mol.
Where can I buy (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea?
You can request a quote for (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea?
Yes, KEHONG BIO provides custom synthesis services for (2-Hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.