ChemDiv1_005743
TL;DR: ChemDiv1_005743 (CAS 332874-38-1) is a chemical compound with molecular formula C18H17N3O3S2 and molecular weight 387.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: ChemDiv1_005743, BAS 02052708, A2323/0097958, 2-(2-benzoxazol-2-ylthioacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-car boxamide, 2-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C18H17N3O3S2 |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | 3.5978 |
| Topological Polar Surface Area | 98.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.07114 |
| Heavy Atoms | 26 |
| Complexity | 959.8961 |
Chemical Identifiers
| CAS Number | 332874-38-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4O3)C(=O)N |
Product Overview
ChemDiv1_005743 (CAS 332874-38-1), with molecular formula C18H17N3O3S2 and molecular weight 387.07 g/mol. IUPAC: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of ChemDiv1_005743
Property Insights of ChemDiv1_005743
The XLogP value of 3.5978 indicates that ChemDiv1_005743 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005743. Following Lipinski's Rule of Five, ChemDiv1_005743 has 2 hydrogen bond donor(s) and 6 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_005743?
The CAS number of ChemDiv1_005743 is 332874-38-1.
What is the molecular formula of ChemDiv1_005743?
The molecular formula of ChemDiv1_005743 is C18H17N3O3S2.
What is the molecular weight of ChemDiv1_005743?
The molecular weight of ChemDiv1_005743 is 387.07 g/mol.
Where can I buy ChemDiv1_005743?
You can request a quote for ChemDiv1_005743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005743?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.