![(2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid structure](/static/products/896/896600-25-2.png)
(2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid
TL;DR: (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid (CAS 896600-25-2) is a chemical compound with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(7,14,14-trimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)prop-2-enoic acid
Also Known As: (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid, (E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)acrylic acid
| Molecular Formula | C16H16N4O3S |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.59652 |
| Topological Polar Surface Area | 89.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.0943 |
| Heavy Atoms | 24 |
| Complexity | 1015.58673 |
Chemical Identifiers
| CAS Number | 896600-25-2 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NC(=NN14)/C=C/C(=O)O |
Product Overview
(2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid (CAS 896600-25-2), with molecular formula C16H16N4O3S and molecular weight 344.09 g/mol. IUPAC: (E)-3-(7,14,14-trimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid
Property Insights of (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid
The XLogP value of 2.59652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid. The TPSA of 89.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 6 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 (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid?
The CAS number of (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid is 896600-25-2.
What is the molecular formula of (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid?
The molecular formula of (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid is C16H16N4O3S.
What is the molecular weight of (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid?
The molecular weight of (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid is 344.09 g/mol.
Where can I buy (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid?
You can request a quote for (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.