![2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine structure](/static/products/845/845808-86-8.png)
2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
TL;DR: 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 845808-86-8) is a chemical compound with molecular formula C31H21N5O3S and molecular weight 543.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
Also Known As: 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C31H21N5O3S |
|---|---|
| Molecular Weight | 543.14 g/mol |
| LogP | 7.0055 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 543.13654 |
| Heavy Atoms | 40 |
| Complexity | 2017.6785 |
Chemical Identifiers
| CAS Number | 845808-86-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C6=NC(=NN6C=N5)CSC7=NC8=CC=CC=C8O7 |
Product Overview
2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine (CAS 845808-86-8), with molecular formula C31H21N5O3S and molecular weight 543.14 g/mol. IUPAC: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene.
Chemical Property Profile of 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Property Insights of 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
The XLogP value of 7.0055 indicates that 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine. Following Lipinski's Rule of Five, 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine 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-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The CAS number of 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 845808-86-8.
What is the molecular formula of 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular formula of 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is C31H21N5O3S.
What is the molecular weight of 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
The molecular weight of 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine is 543.14 g/mol.
Where can I buy 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
You can request a quote for 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine 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)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-((benzo[d]oxazol-2-ylthio)methyl)-14-(4-methoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.