![3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid structure](/static/products/896/896593-80-9.png)
3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid
TL;DR: 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid (CAS 896593-80-9) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(14-methyl-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)propanoic acid
Also Known As: 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid, 3-(10-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid, 3-(14-Methyl-10-thia-3,5,6,8-tetraazatetracyclo[7.7.0.0(2,6).0(11,16)]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)propanoic acid
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 2.481 |
| Topological Polar Surface Area | 80.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 882.55365 |
Chemical Identifiers
| CAS Number | 896593-80-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=N4)CCC(=O)O |
Product Overview
3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid (CAS 896593-80-9), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: 3-(14-methyl-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)propanoic acid.
Chemical Property Profile of 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid
Property Insights of 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid
The XLogP value of 2.481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid. The TPSA of 80.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid has 1 hydrogen bond donor(s) and 5 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 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid?
The CAS number of 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid is 896593-80-9.
What is the molecular formula of 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid?
The molecular formula of 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid is C15H16N4O2S.
What is the molecular weight of 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid?
The molecular weight of 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid is 316.10 g/mol.
Where can I buy 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid?
You can request a quote for 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.