ChemDiv1_018566
TL;DR: ChemDiv1_018566 (CAS 332874-62-1) 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.
propan-2-yl 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_018566, BAS 02052783, propan-2-yl 2-({[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ISOPROPYL 2-({[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]ACETYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C17H21N3O3S3 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 4.08282 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.0745 |
| Heavy Atoms | 26 |
| Complexity | 813.5253 |
Chemical Identifiers
| CAS Number | 332874-62-1 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C |
Product Overview
ChemDiv1_018566 (CAS 332874-62-1), with molecular formula C17H21N3O3S3 and molecular weight 411.07 g/mol. IUPAC: propan-2-yl 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_018566
Property Insights of ChemDiv1_018566
The XLogP value of 4.08282 indicates that ChemDiv1_018566 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 ChemDiv1_018566. Following Lipinski's Rule of Five, ChemDiv1_018566 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 ChemDiv1_018566?
The CAS number of ChemDiv1_018566 is 332874-62-1.
What is the molecular formula of ChemDiv1_018566?
The molecular formula of ChemDiv1_018566 is C17H21N3O3S3.
What is the molecular weight of ChemDiv1_018566?
The molecular weight of ChemDiv1_018566 is 411.07 g/mol.
Where can I buy ChemDiv1_018566?
You can request a quote for ChemDiv1_018566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018566?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.