VU0113380-2
TL;DR: VU0113380-2 (CAS 688055-18-7) is a chemical compound with molecular formula C22H23N3O6S and molecular weight 457.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
Also Known As: VU0113380-2, F3168-2035, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}propanamide, N-(3,4-dimethoxyphenethyl)-3-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
| Molecular Formula | C22H23N3O6S |
|---|---|
| Molecular Weight | 457.13 g/mol |
| LogP | 2.55399 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.13077 |
| Heavy Atoms | 32 |
| Complexity | 1283.122 |
Chemical Identifiers
| CAS Number | 688055-18-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4)OC |
Product Overview
VU0113380-2 (CAS 688055-18-7), with molecular formula C22H23N3O6S and molecular weight 457.13 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide.
Chemical Property Profile of VU0113380-2
Property Insights of VU0113380-2
The XLogP value of 2.55399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0113380-2. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0113380-2. Following Lipinski's Rule of Five, VU0113380-2 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 VU0113380-2?
The CAS number of VU0113380-2 is 688055-18-7.
What is the molecular formula of VU0113380-2?
The molecular formula of VU0113380-2 is C22H23N3O6S.
What is the molecular weight of VU0113380-2?
The molecular weight of VU0113380-2 is 457.13 g/mol.
Where can I buy VU0113380-2?
You can request a quote for VU0113380-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0113380-2?
Yes, KEHONG BIO provides custom synthesis services for VU0113380-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.