![1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol structure](/static/products/700/700355-77-7.png)
1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
TL;DR: 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol (CAS 700355-77-7) is a chemical compound with molecular formula C13H14N4OS and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-4-pyridin-3-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: 1,3-dimethyl-4-(pyridin-3-yl)-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol, 1,3-dimethyl-4-pyridin-3-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one, 8,10-dimethyl-2-pyridin-3-yl-3-thia-6,8,9-triazabicyclo[5.3.0]deca-6,10-dien-5-one
| Molecular Formula | C13H14N4OS |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 1.89822 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.08884 |
| Heavy Atoms | 19 |
| Complexity | 623.0735 |
Chemical Identifiers
| CAS Number | 700355-77-7 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CN=CC=C3)C |
Product Overview
1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol (CAS 700355-77-7), with molecular formula C13H14N4OS and molecular weight 274.09 g/mol. IUPAC: 1,3-dimethyl-4-pyridin-3-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Property Insights of 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
The XLogP value of 1.89822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol. With a topological polar surface area (TPSA) of 59.81 Ų, 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol has 1 hydrogen bond donor(s) and 4 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 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol?
The CAS number of 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol is 700355-77-7.
What is the molecular formula of 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol?
The molecular formula of 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol is C13H14N4OS.
What is the molecular weight of 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol?
The molecular weight of 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol is 274.09 g/mol.
Where can I buy 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol?
You can request a quote for 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-4-(pyridin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.