TH135
TL;DR: TH135 (CAS 476458-31-8) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: TH135, N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide, F0529-0035, N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-2H-1,3-benzodioxole-5-carboxamide, N-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzo[d][1,3]dioxole-5-carboxamide
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 4.21694 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 1106.5155 |
Chemical Identifiers
| CAS Number | 476458-31-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)C |
Product Overview
TH135 (CAS 476458-31-8), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of TH135
Property Insights of TH135
The XLogP value of 4.21694 indicates that TH135 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for TH135. Following Lipinski's Rule of Five, TH135 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 TH135?
The CAS number of TH135 is 476458-31-8.
What is the molecular formula of TH135?
The molecular formula of TH135 is C21H19N3O3S.
What is the molecular weight of TH135?
The molecular weight of TH135 is 393.11 g/mol.
Where can I buy TH135?
You can request a quote for TH135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TH135?
Yes, KEHONG BIO provides custom synthesis services for TH135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.