VU0512601-1
TL;DR: VU0512601-1 (CAS 688053-84-1) is a chemical compound with molecular formula C25H29N3O6S and molecular weight 499.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
Also Known As: VU0512601-1, F3168-1970, N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide, N-(3,4-dimethoxyphenethyl)-6-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)hexanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
| Molecular Formula | C25H29N3O6S |
|---|---|
| Molecular Weight | 499.18 g/mol |
| LogP | 3.72429 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 499.1777 |
| Heavy Atoms | 35 |
| Complexity | 1333.2523 |
Chemical Identifiers
| CAS Number | 688053-84-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCCCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4)OC |
Product Overview
VU0512601-1 (CAS 688053-84-1), with molecular formula C25H29N3O6S and molecular weight 499.18 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide.
Chemical Property Profile of VU0512601-1
Property Insights of VU0512601-1
The XLogP value of 3.72429 indicates that VU0512601-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512601-1. Following Lipinski's Rule of Five, VU0512601-1 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 VU0512601-1?
The CAS number of VU0512601-1 is 688053-84-1.
What is the molecular formula of VU0512601-1?
The molecular formula of VU0512601-1 is C25H29N3O6S.
What is the molecular weight of VU0512601-1?
The molecular weight of VU0512601-1 is 499.18 g/mol.
Where can I buy VU0512601-1?
You can request a quote for VU0512601-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512601-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512601-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.