VU0512631-1
TL;DR: VU0512631-1 (CAS 688055-91-6) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: VU0512631-1, F3168-2086, N-cyclohexyl-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide, N-cyclohexyl-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide, N-cyclohexyl-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
| Molecular Formula | C23H23N3O4S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 3.89859 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.14093 |
| Heavy Atoms | 31 |
| Complexity | 1256.7822 |
Chemical Identifiers
| CAS Number | 688055-91-6 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
VU0512631-1 (CAS 688055-91-6), with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol. IUPAC: N-cyclohexyl-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of VU0512631-1
Property Insights of VU0512631-1
The XLogP value of 3.89859 indicates that VU0512631-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512631-1. Following Lipinski's Rule of Five, VU0512631-1 has 2 hydrogen bond donor(s) and 5 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 VU0512631-1?
The CAS number of VU0512631-1 is 688055-91-6.
What is the molecular formula of VU0512631-1?
The molecular formula of VU0512631-1 is C23H23N3O4S.
What is the molecular weight of VU0512631-1?
The molecular weight of VU0512631-1 is 437.14 g/mol.
Where can I buy VU0512631-1?
You can request a quote for VU0512631-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512631-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512631-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.