AB00686973-01
TL;DR: AB00686973-01 (CAS 872590-77-7) is a chemical compound with molecular formula C17H13ClN6O3 and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide
Also Known As: AB00686973-01, F1876-0203, 2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide, 2-(3-(4-chlorophenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)-N-(furan-2-ylmethyl)acetamide, 2-[3-(4-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-[(furan-2-yl)methyl]acetamide
| Molecular Formula | C17H13ClN6O3 |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 1.54 |
| Topological Polar Surface Area | 107.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.07376 |
| Heavy Atoms | 27 |
| Complexity | 1147.852 |
Chemical Identifiers
| CAS Number | 872590-77-7 |
|---|---|
| SMILES | C1=COC(=C1)CNC(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)Cl |
Product Overview
AB00686973-01 (CAS 872590-77-7), with molecular formula C17H13ClN6O3 and molecular weight 384.07 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of AB00686973-01
Property Insights of AB00686973-01
The XLogP value of 1.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686973-01. The TPSA of 107.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686973-01. Following Lipinski's Rule of Five, AB00686973-01 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 AB00686973-01?
The CAS number of AB00686973-01 is 872590-77-7.
What is the molecular formula of AB00686973-01?
The molecular formula of AB00686973-01 is C17H13ClN6O3.
What is the molecular weight of AB00686973-01?
The molecular weight of AB00686973-01 is 384.07 g/mol.
Where can I buy AB00686973-01?
You can request a quote for AB00686973-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686973-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686973-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.