VU0618118-1
TL;DR: VU0618118-1 (CAS 690644-45-2) is a chemical compound with molecular formula C17H21N3O3S3 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: VU0618118-1, F3394-0313, ETHYL 2-{3-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]PROPANAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-(3-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H21N3O3S3 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 4.08442 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.0745 |
| Heavy Atoms | 26 |
| Complexity | 800.5186 |
Chemical Identifiers
| CAS Number | 690644-45-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=NN=C(S3)C |
Product Overview
VU0618118-1 (CAS 690644-45-2), with molecular formula C17H21N3O3S3 and molecular weight 411.07 g/mol. IUPAC: ethyl 2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of VU0618118-1
Property Insights of VU0618118-1
The XLogP value of 4.08442 indicates that VU0618118-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0618118-1. Following Lipinski's Rule of Five, VU0618118-1 has 1 hydrogen bond donor(s) and 8 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 VU0618118-1?
The CAS number of VU0618118-1 is 690644-45-2.
What is the molecular formula of VU0618118-1?
The molecular formula of VU0618118-1 is C17H21N3O3S3.
What is the molecular weight of VU0618118-1?
The molecular weight of VU0618118-1 is 411.07 g/mol.
Where can I buy VU0618118-1?
You can request a quote for VU0618118-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0618118-1?
Yes, KEHONG BIO provides custom synthesis services for VU0618118-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.