![2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine structure](/static/products/852/852297-22-4.png)
2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine
TL;DR: 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine (CAS 852297-22-4) is a chemical compound with molecular formula C18H17N5S3 and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
Also Known As: 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine, 2-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
| Molecular Formula | C18H17N5S3 |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 5.19732 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.0646 |
| Heavy Atoms | 26 |
| Complexity | 1064.3263 |
Chemical Identifiers
| CAS Number | 852297-22-4 |
|---|---|
| SMILES | CC1=NC2=C(C(=CS2)C3=CC=CS3)C(=N1)SC4=NN=C5N4CCCCC5 |
Product Overview
2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine (CAS 852297-22-4), with molecular formula C18H17N5S3 and molecular weight 399.06 g/mol. IUPAC: 2-methyl-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine.
Chemical Property Profile of 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine
Property Insights of 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine
The XLogP value of 5.19732 indicates that 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine?
The CAS number of 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine is 852297-22-4.
What is the molecular formula of 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine?
The molecular formula of 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine is C18H17N5S3.
What is the molecular weight of 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine?
The molecular weight of 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine is 399.06 g/mol.
Where can I buy 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine?
You can request a quote for 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-5-(thiophen-2-yl)-4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl}thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.