AB00686982-01
TL;DR: AB00686982-01 (CAS 872591-30-5) is a chemical compound with molecular formula C16H17ClN6O3 and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-chloro-4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2-methoxyethyl)acetamide
Also Known As: AB00686982-01, F1876-1093, 2-(3-(3-chloro-4-methylphenyl)-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)-N-(2-methoxyethyl)acetamide, 2-[3-(3-chloro-4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2-methoxyethyl)acetamide, 2-[3-(3-chloro-4-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(2-methoxyethyl)acetamide
| Molecular Formula | C16H17ClN6O3 |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 0.70162 |
| Topological Polar Surface Area | 103.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.10507 |
| Heavy Atoms | 26 |
| Complexity | 1012.878 |
Chemical Identifiers
| CAS Number | 872591-30-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NCCOC)N=N2)Cl |
Product Overview
AB00686982-01 (CAS 872591-30-5), with molecular formula C16H17ClN6O3 and molecular weight 376.11 g/mol. IUPAC: 2-[3-(3-chloro-4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2-methoxyethyl)acetamide.
Chemical Property Profile of AB00686982-01
Property Insights of AB00686982-01
The XLogP value of 0.70162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686982-01. The TPSA of 103.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686982-01. Following Lipinski's Rule of Five, AB00686982-01 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 AB00686982-01?
The CAS number of AB00686982-01 is 872591-30-5.
What is the molecular formula of AB00686982-01?
The molecular formula of AB00686982-01 is C16H17ClN6O3.
What is the molecular weight of AB00686982-01?
The molecular weight of AB00686982-01 is 376.11 g/mol.
Where can I buy AB00686982-01?
You can request a quote for AB00686982-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686982-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686982-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.