![3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one structure](/static/products/860/860644-70-8.png)
3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one
TL;DR: 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one (CAS 860644-70-8) is a chemical compound with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),8-dien-5-one
Also Known As: 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one, 10X-0058, 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),8-dien-5-one, 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),8-dien-5-one
| Molecular Formula | C19H21N3O3S |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 2.6271 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.13037 |
| Heavy Atoms | 26 |
| Complexity | 842.43115 |
Chemical Identifiers
| CAS Number | 860644-70-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2C3=C(C4CCN3CC4)N=C5N2C(=O)CS5 |
Product Overview
3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one (CAS 860644-70-8), with molecular formula C19H21N3O3S and molecular weight 371.13 g/mol. IUPAC: 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),8-dien-5-one.
Chemical Property Profile of 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one
Property Insights of 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one
The XLogP value of 2.6271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one. With a topological polar surface area (TPSA) of 54.37 Ų, 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one 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 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one?
The CAS number of 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one is 860644-70-8.
What is the molecular formula of 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one?
The molecular formula of 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one is C19H21N3O3S.
What is the molecular weight of 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one?
The molecular weight of 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one is 371.13 g/mol.
Where can I buy 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one?
You can request a quote for 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-dimethoxyphenyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.