VU0611672-1
TL;DR: VU0611672-1 (CAS 519050-24-9) is a chemical compound with molecular formula C22H19N3O4S2 and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: VU0611672-1, F3345-0689, ethyl 2-(4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{2-oxo-6-thia-1,8-diazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H19N3O4S2 |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 4.2785 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.0817 |
| Heavy Atoms | 31 |
| Complexity | 1399.2795 |
Chemical Identifiers
| CAS Number | 519050-24-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(S3)N=C5C=CC=CN5C4=O |
Product Overview
VU0611672-1 (CAS 519050-24-9), with molecular formula C22H19N3O4S2 and molecular weight 453.08 g/mol. IUPAC: ethyl 2-[(2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of VU0611672-1
Property Insights of VU0611672-1
The XLogP value of 4.2785 indicates that VU0611672-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0611672-1. Following Lipinski's Rule of Five, VU0611672-1 has 1 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 VU0611672-1?
The CAS number of VU0611672-1 is 519050-24-9.
What is the molecular formula of VU0611672-1?
The molecular formula of VU0611672-1 is C22H19N3O4S2.
What is the molecular weight of VU0611672-1?
The molecular weight of VU0611672-1 is 453.08 g/mol.
Where can I buy VU0611672-1?
You can request a quote for VU0611672-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0611672-1?
Yes, KEHONG BIO provides custom synthesis services for VU0611672-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.