AB00866872-06
TL;DR: AB00866872-06 (CAS 1007476-60-9) is a chemical compound with molecular formula C16H12BrN3O3S and molecular weight 404.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
Also Known As: AB00866872-06, F0561-0164, 5-bromo-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide, 5-bromo-N-{5-oxo-2-phenyl-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl}furan-2-carboxamide, 5-bromo-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
| Molecular Formula | C16H12BrN3O3S |
|---|---|
| Molecular Weight | 404.98 g/mol |
| LogP | 3.2424 |
| Topological Polar Surface Area | 77.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.97827 |
| Heavy Atoms | 24 |
| Complexity | 948.8908 |
Chemical Identifiers
| CAS Number | 1007476-60-9 |
|---|---|
| SMILES | C1C2=C(N(N=C2CS1=O)C3=CC=CC=C3)NC(=O)C4=CC=C(O4)Br |
Product Overview
AB00866872-06 (CAS 1007476-60-9), with molecular formula C16H12BrN3O3S and molecular weight 404.98 g/mol. IUPAC: 5-bromo-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.
Chemical Property Profile of AB00866872-06
Property Insights of AB00866872-06
The XLogP value of 3.2424 indicates that AB00866872-06 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00866872-06. Following Lipinski's Rule of Five, AB00866872-06 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 AB00866872-06?
The CAS number of AB00866872-06 is 1007476-60-9.
What is the molecular formula of AB00866872-06?
The molecular formula of AB00866872-06 is C16H12BrN3O3S.
What is the molecular weight of AB00866872-06?
The molecular weight of AB00866872-06 is 404.98 g/mol.
Where can I buy AB00866872-06?
You can request a quote for AB00866872-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00866872-06?
Yes, KEHONG BIO provides custom synthesis services for AB00866872-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.