AB00157749-06
TL;DR: AB00157749-06 (CAS 958983-87-4) is a chemical compound with molecular formula C22H31N3O5S and molecular weight 449.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxybenzamide
Also Known As: AB00157749-06, F0561-0838, N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxybenzamide, N-(2-tert-butyl-5-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxybenzamide, N-{2-tert-butyl-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl}-3,4,5-triethoxybenzamide
| Molecular Formula | C22H31N3O5S |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 3.8488 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.19846 |
| Heavy Atoms | 31 |
| Complexity | 966.7582 |
Chemical Identifiers
| CAS Number | 958983-87-4 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C3CS(=O)CC3=NN2C(C)(C)C |
Product Overview
AB00157749-06 (CAS 958983-87-4), with molecular formula C22H31N3O5S and molecular weight 449.20 g/mol. IUPAC: N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxybenzamide.
Chemical Property Profile of AB00157749-06
Property Insights of AB00157749-06
The XLogP value of 3.8488 indicates that AB00157749-06 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00157749-06. Following Lipinski's Rule of Five, AB00157749-06 has 1 hydrogen bond donor(s) and 6 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 AB00157749-06?
The CAS number of AB00157749-06 is 958983-87-4.
What is the molecular formula of AB00157749-06?
The molecular formula of AB00157749-06 is C22H31N3O5S.
What is the molecular weight of AB00157749-06?
The molecular weight of AB00157749-06 is 449.20 g/mol.
Where can I buy AB00157749-06?
You can request a quote for AB00157749-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00157749-06?
Yes, KEHONG BIO provides custom synthesis services for AB00157749-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.