AB00687687-01
TL;DR: AB00687687-01 (CAS 891113-29-4) is a chemical compound with molecular formula C18H14ClN5O3 and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
Also Known As: AB00687687-01, F2514-0210, 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide, 2-(1-(3-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(furan-2-ylmethyl)acetamide, 2-[1-(3-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]-N-[(furan-2-yl)methyl]acetamide
| Molecular Formula | C18H14ClN5O3 |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 2.145 |
| Topological Polar Surface Area | 94.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.07852 |
| Heavy Atoms | 27 |
| Complexity | 1163.4304 |
Chemical Identifiers
| CAS Number | 891113-29-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCC4=CC=CO4 |
Product Overview
AB00687687-01 (CAS 891113-29-4), with molecular formula C18H14ClN5O3 and molecular weight 383.08 g/mol. IUPAC: 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of AB00687687-01
Property Insights of AB00687687-01
The XLogP value of 2.145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00687687-01. The TPSA of 94.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687687-01. Following Lipinski's Rule of Five, AB00687687-01 has 1 hydrogen bond donor(s) and 5 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 AB00687687-01?
The CAS number of AB00687687-01 is 891113-29-4.
What is the molecular formula of AB00687687-01?
The molecular formula of AB00687687-01 is C18H14ClN5O3.
What is the molecular weight of AB00687687-01?
The molecular weight of AB00687687-01 is 383.08 g/mol.
Where can I buy AB00687687-01?
You can request a quote for AB00687687-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687687-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687687-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.