AB00164553-07
TL;DR: AB00164553-07 (CAS 449784-29-6) is a chemical compound with molecular formula C16H17ClN4O5S and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-chloro-2-nitrobenzamide
Also Known As: AB00164553-07, F0541-0053, N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-chloro-2-nitrobenzamide, N-{2-tert-butyl-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl}-5-chloro-2-nitrobenzamide, N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-chloro-2-nitrobenzamide
| Molecular Formula | C16H17ClN4O5S |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 2.8804 |
| Topological Polar Surface Area | 124.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.06082 |
| Heavy Atoms | 27 |
| Complexity | 1069.2103 |
Chemical Identifiers
| CAS Number | 449784-29-6 |
|---|---|
| SMILES | CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
AB00164553-07 (CAS 449784-29-6), with molecular formula C16H17ClN4O5S and molecular weight 412.06 g/mol. IUPAC: N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-chloro-2-nitrobenzamide.
Chemical Property Profile of AB00164553-07
Property Insights of AB00164553-07
The XLogP value of 2.8804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00164553-07. The TPSA of 124.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00164553-07. Following Lipinski's Rule of Five, AB00164553-07 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 AB00164553-07?
The CAS number of AB00164553-07 is 449784-29-6.
What is the molecular formula of AB00164553-07?
The molecular formula of AB00164553-07 is C16H17ClN4O5S.
What is the molecular weight of AB00164553-07?
The molecular weight of AB00164553-07 is 412.06 g/mol.
Where can I buy AB00164553-07?
You can request a quote for AB00164553-07 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00164553-07?
Yes, KEHONG BIO provides custom synthesis services for AB00164553-07 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.