VU0514196-1
TL;DR: VU0514196-1 (CAS 869466-36-4) is a chemical compound with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
Also Known As: VU0514196-1, F3222-2224, N-(3-chloro-4-methylphenyl)-2-(7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)acetamide, N-(3-chloro-4-methylphenyl)-2-{11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-5-yl}acetamide, N-(3-chloro-4-methylphenyl)-2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
| Molecular Formula | C20H17ClN4O2S |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 4.22356 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.07608 |
| Heavy Atoms | 28 |
| Complexity | 1309.2892 |
Chemical Identifiers
| CAS Number | 869466-36-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SC4=C3C(=CC(=N4)C)C)Cl |
Product Overview
VU0514196-1 (CAS 869466-36-4), with molecular formula C20H17ClN4O2S and molecular weight 412.08 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide.
Chemical Property Profile of VU0514196-1
Property Insights of VU0514196-1
The XLogP value of 4.22356 indicates that VU0514196-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0514196-1. Following Lipinski's Rule of Five, VU0514196-1 has 1 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 VU0514196-1?
The CAS number of VU0514196-1 is 869466-36-4.
What is the molecular formula of VU0514196-1?
The molecular formula of VU0514196-1 is C20H17ClN4O2S.
What is the molecular weight of VU0514196-1?
The molecular weight of VU0514196-1 is 412.08 g/mol.
Where can I buy VU0514196-1?
You can request a quote for VU0514196-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0514196-1?
Yes, KEHONG BIO provides custom synthesis services for VU0514196-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.