VU0605313-1
TL;DR: VU0605313-1 (CAS 885183-46-0) is a chemical compound with molecular formula C21H17N5O5 and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide
Also Known As: VU0605313-1, (Z)-N-(1-(1-cyano-2-((2-methoxyethyl)amino)-2-oxoethylidene)-1H-isoindol-3-yl)-3-nitrobenzamide, F3225-8344, N-[(1Z)-1-{cyano[(2-methoxyethyl)carbamoyl]methylidene}-1H-isoindol-3-yl]-3-nitrobenzamide, N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide
| Molecular Formula | C21H17N5O5 |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 1.78228 |
| Topological Polar Surface Area | 146.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.12296 |
| Heavy Atoms | 31 |
| Complexity | 1162.7456 |
Chemical Identifiers
| CAS Number | 885183-46-0 |
|---|---|
| SMILES | COCCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/C#N |
Product Overview
VU0605313-1 (CAS 885183-46-0), with molecular formula C21H17N5O5 and molecular weight 419.12 g/mol. IUPAC: N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide.
Chemical Property Profile of VU0605313-1
Property Insights of VU0605313-1
The XLogP value of 1.78228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0605313-1. The TPSA of 146.72 Ų indicates high polarity, suggesting VU0605313-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, VU0605313-1 has 2 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 VU0605313-1?
The CAS number of VU0605313-1 is 885183-46-0.
What is the molecular formula of VU0605313-1?
The molecular formula of VU0605313-1 is C21H17N5O5.
What is the molecular weight of VU0605313-1?
The molecular weight of VU0605313-1 is 419.12 g/mol.
Where can I buy VU0605313-1?
You can request a quote for VU0605313-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0605313-1?
Yes, KEHONG BIO provides custom synthesis services for VU0605313-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.