![2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one structure](/static/products/846/846029-83-2.png)
2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
TL;DR: 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one (CAS 846029-83-2) is a chemical compound with molecular formula C29H25N5O4S and molecular weight 539.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1,3-benzoxazol-2-ylsulfanylmethyl)-9-(4-methoxyphenyl)-5,5-dimethyl-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-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(4-methoxyphenyl)-9,9-dimethyl-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
| Molecular Formula | C29H25N5O4S |
|---|---|
| Molecular Weight | 539.16 g/mol |
| LogP | 5.7339 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.1627 |
| Heavy Atoms | 39 |
| Complexity | 1753.8994 |
Chemical Identifiers
| CAS Number | 846029-83-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CSC5=NC6=CC=CC=C6O5)C7=CC=C(C=C7)OC)C(=O)C1)C |
Product Overview
2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one (CAS 846029-83-2), with molecular formula C29H25N5O4S and molecular weight 539.16 g/mol. IUPAC: 13-(1,3-benzoxazol-2-ylsulfanylmethyl)-9-(4-methoxyphenyl)-5,5-dimethyl-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-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
Property Insights of 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one
The XLogP value of 5.7339 indicates that 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one. Following Lipinski's Rule of Five, 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
The CAS number of 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is 846029-83-2.
What is the molecular formula of 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
The molecular formula of 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is C29H25N5O4S.
What is the molecular weight of 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
The molecular weight of 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one is 539.16 g/mol.
Where can I buy 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
You can request a quote for 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(4-methoxyphenyl)-9,9-dimethyl-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.