AB00686835-01
TL;DR: AB00686835-01 (CAS 869077-24-7) is a chemical compound with molecular formula C22H23NO5 and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[7-(diethylaminomethyl)-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: AB00686835-01, (Z)-methyl 4-((7-((diethylamino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, F1860-0259, methyl 4-{[(2Z)-7-[(diethylamino)methyl]-6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}benzoate, methyl 4-[(Z)-[7-(diethylaminomethyl)-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
| Molecular Formula | C22H23NO5 |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 3.6368 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.15762 |
| Heavy Atoms | 28 |
| Complexity | 926.6885 |
Chemical Identifiers
| CAS Number | 869077-24-7 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C(=O)OC)/C2=O)O |
Product Overview
AB00686835-01 (CAS 869077-24-7), with molecular formula C22H23NO5 and molecular weight 381.16 g/mol. IUPAC: methyl 4-[(Z)-[7-(diethylaminomethyl)-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of AB00686835-01
Property Insights of AB00686835-01
The XLogP value of 3.6368 indicates that AB00686835-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686835-01. Following Lipinski's Rule of Five, AB00686835-01 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 AB00686835-01?
The CAS number of AB00686835-01 is 869077-24-7.
What is the molecular formula of AB00686835-01?
The molecular formula of AB00686835-01 is C22H23NO5.
What is the molecular weight of AB00686835-01?
The molecular weight of AB00686835-01 is 381.16 g/mol.
Where can I buy AB00686835-01?
You can request a quote for AB00686835-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686835-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686835-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.