![3-(2-thienyl)-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/860/860644-71-9.png)
3-(2-thienyl)-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-thienyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),8-dien-5-one (CAS 860644-71-9) is a chemical compound with molecular formula C15H15N3OS2 and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiophen-2-yl-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-thienyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),8-dien-5-one, 10X-0063, 3-(thiophen-2-yl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),8-dien-5-one, 3-(2-Thienyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0>2,10>.0>4,8>]pentadeca-2(10),8-dien-5-one, 3-(2-thienyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),8-dien-5-one
| Molecular Formula | C15H15N3OS2 |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.6714 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.06564 |
| Heavy Atoms | 21 |
| Complexity | 671.10065 |
Chemical Identifiers
| CAS Number | 860644-71-9 |
|---|---|
| SMILES | C1CN2CCC1C3=C2C(N4C(=O)CSC4=N3)C5=CC=CS5 |
Product Overview
3-(2-thienyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),8-dien-5-one (CAS 860644-71-9), with molecular formula C15H15N3OS2 and molecular weight 317.07 g/mol. IUPAC: 3-thiophen-2-yl-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-thienyl)-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-thienyl)-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 2.6714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-thienyl)-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 35.91 Ų, 3-(2-thienyl)-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-thienyl)-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 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 3-(2-thienyl)-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-thienyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),8-dien-5-one is 860644-71-9.
What is the molecular formula of 3-(2-thienyl)-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-thienyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),8-dien-5-one is C15H15N3OS2.
What is the molecular weight of 3-(2-thienyl)-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-thienyl)-7-thia-1,4,9-triazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),8-dien-5-one is 317.07 g/mol.
Where can I buy 3-(2-thienyl)-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-thienyl)-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-thienyl)-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-thienyl)-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.