VU0512613-1
TL;DR: VU0512613-1 (CAS 896704-65-7) is a chemical compound with molecular formula C21H19N3O6S and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
Also Known As: VU0512613-1, F3168-2003, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide, N-(1,3-benzodioxol-5-ylmethyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide, N-(1,3-benzodioxol-5-ylmethyl)-4-(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
| Molecular Formula | C21H19N3O6S |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 2.61309 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.09946 |
| Heavy Atoms | 31 |
| Complexity | 1298.7404 |
Chemical Identifiers
| CAS Number | 896704-65-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
VU0512613-1 (CAS 896704-65-7), with molecular formula C21H19N3O6S and molecular weight 441.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide.
Chemical Property Profile of VU0512613-1
Property Insights of VU0512613-1
The XLogP value of 2.61309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0512613-1. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512613-1. Following Lipinski's Rule of Five, VU0512613-1 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 VU0512613-1?
The CAS number of VU0512613-1 is 896704-65-7.
What is the molecular formula of VU0512613-1?
The molecular formula of VU0512613-1 is C21H19N3O6S.
What is the molecular weight of VU0512613-1?
The molecular weight of VU0512613-1 is 441.10 g/mol.
Where can I buy VU0512613-1?
You can request a quote for VU0512613-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512613-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512613-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.