NIOSH/VB1050000
TL;DR: NIOSH/VB1050000 (CAS 342046-22-4) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: NIOSH/VB1050000, 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, AE-641/11517359, 10W-0251
| Molecular Formula | C20H22N2O2 |
|---|---|
| Molecular Weight | 322.17 g/mol |
| LogP | 3.82278 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.16812 |
| Heavy Atoms | 24 |
| Complexity | 809.1729 |
Chemical Identifiers
| CAS Number | 342046-22-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC)C#N |
Product Overview
NIOSH/VB1050000 (CAS 342046-22-4), with molecular formula C20H22N2O2 and molecular weight 322.17 g/mol. IUPAC: 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of NIOSH/VB1050000
Property Insights of NIOSH/VB1050000
The XLogP value of 3.82278 indicates that NIOSH/VB1050000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for NIOSH/VB1050000. Following Lipinski's Rule of Five, NIOSH/VB1050000 has 1 hydrogen bond donor(s) and 4 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 NIOSH/VB1050000?
The CAS number of NIOSH/VB1050000 is 342046-22-4.
What is the molecular formula of NIOSH/VB1050000?
The molecular formula of NIOSH/VB1050000 is C20H22N2O2.
What is the molecular weight of NIOSH/VB1050000?
The molecular weight of NIOSH/VB1050000 is 322.17 g/mol.
Where can I buy NIOSH/VB1050000?
You can request a quote for NIOSH/VB1050000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NIOSH/VB1050000?
Yes, KEHONG BIO provides custom synthesis services for NIOSH/VB1050000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.