VU0617429-1
TL;DR: VU0617429-1 (CAS 905014-81-5) is a chemical compound with molecular formula C20H15NO5 and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-(cyanomethoxy)-4-methyl-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: VU0617429-1, (Z)-methyl 4-((6-(cyanomethoxy)-4-methyl-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, AO-022/43452387, methyl 4-[(Z)-[6-(cyanomethoxy)-4-methyl-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, F3385-4194
| Molecular Formula | C20H15NO5 |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 3.3002 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.09503 |
| Heavy Atoms | 26 |
| Complexity | 951.4022 |
Chemical Identifiers
| CAS Number | 905014-81-5 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/O2)OCC#N |
Product Overview
VU0617429-1 (CAS 905014-81-5), with molecular formula C20H15NO5 and molecular weight 349.10 g/mol. IUPAC: methyl 4-[(Z)-[6-(cyanomethoxy)-4-methyl-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of VU0617429-1
Property Insights of VU0617429-1
The XLogP value of 3.3002 indicates that VU0617429-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0617429-1. Following Lipinski's Rule of Five, VU0617429-1 has 0 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 VU0617429-1?
The CAS number of VU0617429-1 is 905014-81-5.
What is the molecular formula of VU0617429-1?
The molecular formula of VU0617429-1 is C20H15NO5.
What is the molecular weight of VU0617429-1?
The molecular weight of VU0617429-1 is 349.10 g/mol.
Where can I buy VU0617429-1?
You can request a quote for VU0617429-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0617429-1?
Yes, KEHONG BIO provides custom synthesis services for VU0617429-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.