![2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one structure](/static/products/848/848764-32-9.png)
2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
TL;DR: 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one (CAS 848764-32-9) is a chemical compound with molecular formula C28H23N5O2S2 and molecular weight 525.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1,3-benzothiazol-2-ylsulfanylmethyl)-5,5-dimethyl-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
Also Known As: 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one, 2-((benzo[d]thiazol-2-ylthio)methyl)-9,9-dimethyl-12-phenyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
| Molecular Formula | C28H23N5O2S2 |
|---|---|
| Molecular Weight | 525.13 g/mol |
| LogP | 6.1938 |
| Topological Polar Surface Area | 82.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 525.12933 |
| Heavy Atoms | 37 |
| Complexity | 1687.8511 |
Chemical Identifiers
| CAS Number | 848764-32-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6S5)C7=CC=CC=C7)C(=O)C1)C |
Product Overview
2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one (CAS 848764-32-9), with molecular formula C28H23N5O2S2 and molecular weight 525.13 g/mol. IUPAC: 13-(1,3-benzothiazol-2-ylsulfanylmethyl)-5,5-dimethyl-9-phenyl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one.
Chemical Property Profile of 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
Property Insights of 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
The XLogP value of 6.1938 indicates that 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one. Following Lipinski's Rule of Five, 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
The CAS number of 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one is 848764-32-9.
What is the molecular formula of 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
The molecular formula of 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one is C28H23N5O2S2.
What is the molecular weight of 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
The molecular weight of 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one is 525.13 g/mol.
Where can I buy 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
You can request a quote for 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-9,9-dimethyl-12-phenyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.