![11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one structure](/static/products/851/851175-82-1.png)
11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one
TL;DR: 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one (CAS 851175-82-1) is a chemical compound with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-4-one
Also Known As: 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one, 2-(chloromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, 2-(chloromethyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-4-one, 11-(chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0?,?]trideca-2(7),9,11-trien-13-one, 2-(CHLOROMETHYL)-6,7,8,9-TETRAHYDRO-4H-BENZO[4,5]THIAZOLO[3,2-A]PYRIMIDIN-4-ONE
| Molecular Formula | C11H11ClN2OS |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.3736 |
| Topological Polar Surface Area | 34.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.02806 |
| Heavy Atoms | 16 |
| Complexity | 601.78577 |
Chemical Identifiers
| CAS Number | 851175-82-1 |
|---|---|
| SMILES | C1CCC2=C(C1)N3C(=O)C=C(N=C3S2)CCl |
Product Overview
11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one (CAS 851175-82-1), with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol. IUPAC: 2-(chloromethyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-4-one.
Chemical Property Profile of 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one
Property Insights of 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one
The XLogP value of 2.3736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one. With a topological polar surface area (TPSA) of 34.37 Ų, 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one has 0 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 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one?
The CAS number of 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one is 851175-82-1.
What is the molecular formula of 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one?
The molecular formula of 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one is C11H11ClN2OS.
What is the molecular weight of 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one?
The molecular weight of 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one is 254.03 g/mol.
Where can I buy 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one?
You can request a quote for 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(Chloromethyl)-8-thia-1,10-diazatricyclo[7.4.0.0,2,7]trideca-2(7),9,11-trien-13-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.