thiophene containing compound, 23
TL;DR: thiophene containing compound, 23 (CAS 184906-67-0) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: thiophene containing compound, 23, BAS 00745296, NCI60_032400, J2.666.841G, Ethyl 2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 184906-67-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3 |
| InChIKey | BEZPESQLRYMCPE-UHFFFAOYSA-N |
Product Overview
thiophene containing compound, 23 (CAS 184906-67-0), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: ethyl 2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of thiophene containing compound, 23
Property Insights of thiophene containing compound, 23
The XLogP value of 4.8 indicates that thiophene containing compound, 23 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for thiophene containing compound, 23. Following Lipinski's Rule of Five, thiophene containing compound, 23 has 1 hydrogen bond donor(s) and 5 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 thiophene containing compound, 23?
The CAS number of thiophene containing compound, 23 is 184906-67-0.
What is the molecular formula of thiophene containing compound, 23?
The molecular formula of thiophene containing compound, 23 is C16H17NO3S2.
What is the molecular weight of thiophene containing compound, 23?
The molecular weight of thiophene containing compound, 23 is 335.06 g/mol.
Where can I buy thiophene containing compound, 23?
You can request a quote for thiophene containing compound, 23 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thiophene containing compound, 23?
Yes, KEHONG BIO provides custom synthesis services for thiophene containing compound, 23 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.