TH316
TL;DR: TH316 (CAS 450337-61-8) is a chemical compound with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
Also Known As: TH316, F0541-0794, N-(2-(4-methoxyphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide, N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide, N-[2-(4-methoxyphenyl)-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
| Molecular Formula | C18H21N3O4S |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 2.438 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.12527 |
| Heavy Atoms | 26 |
| Complexity | 941.561 |
Chemical Identifiers
| CAS Number | 450337-61-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=C3CS(=O)(=O)CC3=N2)NC(=O)C4CCCC4 |
Product Overview
TH316 (CAS 450337-61-8), with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol. IUPAC: N-[2-(4-methoxyphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide.
Chemical Property Profile of TH316
Property Insights of TH316
The XLogP value of 2.438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TH316. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for TH316. Following Lipinski's Rule of Five, TH316 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 TH316?
The CAS number of TH316 is 450337-61-8.
What is the molecular formula of TH316?
The molecular formula of TH316 is C18H21N3O4S.
What is the molecular weight of TH316?
The molecular weight of TH316 is 375.13 g/mol.
Where can I buy TH316?
You can request a quote for TH316 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH316?
Yes, KEHONG BIO provides custom synthesis services for TH316 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.