VU0113343-2
TL;DR: VU0113343-2 (CAS 689762-06-9) is a chemical compound with molecular formula C24H27N3O2S and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
Also Known As: VU0113343-2, F3407-3987, N-(4-methylbenzyl)-4-((4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide, N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide, N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
| Molecular Formula | C24H27N3O2S |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 4.49031 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.1824 |
| Heavy Atoms | 30 |
| Complexity | 1155.5249 |
Chemical Identifiers
| CAS Number | 689762-06-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S |
Product Overview
VU0113343-2 (CAS 689762-06-9), with molecular formula C24H27N3O2S and molecular weight 421.18 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide.
Chemical Property Profile of VU0113343-2
Property Insights of VU0113343-2
The XLogP value of 4.49031 indicates that VU0113343-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0113343-2. Following Lipinski's Rule of Five, VU0113343-2 has 2 hydrogen bond donor(s) and 3 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 VU0113343-2?
The CAS number of VU0113343-2 is 689762-06-9.
What is the molecular formula of VU0113343-2?
The molecular formula of VU0113343-2 is C24H27N3O2S.
What is the molecular weight of VU0113343-2?
The molecular weight of VU0113343-2 is 421.18 g/mol.
Where can I buy VU0113343-2?
You can request a quote for VU0113343-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0113343-2?
Yes, KEHONG BIO provides custom synthesis services for VU0113343-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.