![2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol structure](/static/products/848/848221-71-6.png)
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
TL;DR: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol (CAS 848221-71-6) is a chemical compound with molecular formula C28H21N5O5S and molecular weight 539.13 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-(3,4-dimethoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
Also Known As: 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol, 2-((benzo[d]oxazol-2-ylthio)methyl)-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-3-ium-9-olate
| Molecular Formula | C28H21N5O5S |
|---|---|
| Molecular Weight | 539.13 g/mol |
| LogP | 5.5665 |
| Topological Polar Surface Area | 117.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.12634 |
| Heavy Atoms | 39 |
| Complexity | 1833.9708 |
Chemical Identifiers
| CAS Number | 848221-71-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(C=C(C=C3)O)OC4=C2C5=NC(=NN5C=N4)CSC6=NC7=CC=CC=C7O6)OC |
Product Overview
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol (CAS 848221-71-6), with molecular formula C28H21N5O5S and molecular weight 539.13 g/mol. IUPAC: 13-(1,3-benzoxazol-2-ylsulfanylmethyl)-9-(3,4-dimethoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol.
Chemical Property Profile of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
Property Insights of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol
The XLogP value of 5.5665 indicates that 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol. Following Lipinski's Rule of Five, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol has 1 hydrogen bond donor(s) and 10 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-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol?
The CAS number of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol is 848221-71-6.
What is the molecular formula of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol?
The molecular formula of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol is C28H21N5O5S.
What is the molecular weight of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol?
The molecular weight of 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol is 539.13 g/mol.
Where can I buy 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol?
You can request a quote for 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol 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-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-12-(3,4-dimethoxyphenyl)-12H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.