AB00676616-01
TL;DR: AB00676616-01 (CAS 888418-22-2) is a chemical compound with molecular formula C17H12ClN5O4 and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]methyl]furan-2-carboxylate
Also Known As: AB00676616-01, F1876-0234, methyl 5-[[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]methyl]furan-2-carboxylate, methyl 5-((3-(4-chlorophenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)methyl)furan-2-carboxylate, methyl 5-{[3-(4-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]methyl}furan-2-carboxylate
| Molecular Formula | C17H12ClN5O4 |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 2.0585 |
| Topological Polar Surface Area | 105.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.05777 |
| Heavy Atoms | 27 |
| Complexity | 1192.2335 |
Chemical Identifiers
| CAS Number | 888418-22-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)Cl |
Product Overview
AB00676616-01 (CAS 888418-22-2), with molecular formula C17H12ClN5O4 and molecular weight 385.06 g/mol. IUPAC: methyl 5-[[3-(4-chlorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]methyl]furan-2-carboxylate.
Chemical Property Profile of AB00676616-01
Property Insights of AB00676616-01
The XLogP value of 2.0585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00676616-01. The TPSA of 105.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676616-01. Following Lipinski's Rule of Five, AB00676616-01 has 0 hydrogen bond donor(s) and 7 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 AB00676616-01?
The CAS number of AB00676616-01 is 888418-22-2.
What is the molecular formula of AB00676616-01?
The molecular formula of AB00676616-01 is C17H12ClN5O4.
What is the molecular weight of AB00676616-01?
The molecular weight of AB00676616-01 is 385.06 g/mol.
Where can I buy AB00676616-01?
You can request a quote for AB00676616-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676616-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676616-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.