VU0618154-1
TL;DR: VU0618154-1 (CAS 671199-08-9) is a chemical compound with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: VU0618154-1, F3394-0495, ETHYL 6-METHYL-2-(3-{[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLSULFANYL}PROPANAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-(3-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)propanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 6-methyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H24N4O3S2 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 4.2132 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.129 |
| Heavy Atoms | 30 |
| Complexity | 1075.576 |
Chemical Identifiers
| CAS Number | 671199-08-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCSC3=NN=C4N3C=CC=C4 |
Product Overview
VU0618154-1 (CAS 671199-08-9), with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol. IUPAC: ethyl 6-methyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of VU0618154-1
Property Insights of VU0618154-1
The XLogP value of 4.2132 indicates that VU0618154-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0618154-1. Following Lipinski's Rule of Five, VU0618154-1 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 VU0618154-1?
The CAS number of VU0618154-1 is 671199-08-9.
What is the molecular formula of VU0618154-1?
The molecular formula of VU0618154-1 is C21H24N4O3S2.
What is the molecular weight of VU0618154-1?
The molecular weight of VU0618154-1 is 444.13 g/mol.
Where can I buy VU0618154-1?
You can request a quote for VU0618154-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618154-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618154-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.