VU0512634-1
TL;DR: VU0512634-1 (CAS 688060-22-2) is a chemical compound with molecular formula C23H20N4O6S and molecular weight 480.11 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-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]butanamide
Also Known As: VU0512634-1, F3168-2182, N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}butanamide, N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]butanamide, N-(1,3-benzodioxol-5-ylmethyl)-4-[6-[(cyanomethyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
| Molecular Formula | C23H20N4O6S |
|---|---|
| Molecular Weight | 480.11 g/mol |
| LogP | 2.56618 |
| Topological Polar Surface Area | 124.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.11035 |
| Heavy Atoms | 34 |
| Complexity | 1366.2933 |
Chemical Identifiers
| CAS Number | 688060-22-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC5=C(C=C4N=C3SCC#N)OCO5 |
Product Overview
VU0512634-1 (CAS 688060-22-2), with molecular formula C23H20N4O6S and molecular weight 480.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(cyanomethylsulfanyl)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]butanamide.
Chemical Property Profile of VU0512634-1
Property Insights of VU0512634-1
The XLogP value of 2.56618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0512634-1. The TPSA of 124.7 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512634-1. Following Lipinski's Rule of Five, VU0512634-1 has 1 hydrogen bond donor(s) and 9 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 VU0512634-1?
The CAS number of VU0512634-1 is 688060-22-2.
What is the molecular formula of VU0512634-1?
The molecular formula of VU0512634-1 is C23H20N4O6S.
What is the molecular weight of VU0512634-1?
The molecular weight of VU0512634-1 is 480.11 g/mol.
Where can I buy VU0512634-1?
You can request a quote for VU0512634-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512634-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512634-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.