RefChem:326224
TL;DR: RefChem:326224 (CAS 59898-51-0) is a chemical compound with molecular formula C14H20N2O2S2 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00700352, 5-18-12-00225 (Beilstein Handbook Reference), Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((ethylamino)thioxomethyl)amino)-,ethyl ester, ethyl 2-[(ethylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 4,5,6,7-Tetrahydro-2-(3-ethylthioureido)benzo[b]thiophene-3-carboxylic acid ethyl ester
| Molecular Formula | C14H20N2O2S2 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.1099 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.09662 |
| Heavy Atoms | 20 |
| Complexity | 511.51733 |
Chemical Identifiers
| CAS Number | 59898-51-0 |
|---|---|
| SMILES | CCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC |
Product Overview
RefChem:326224 (CAS 59898-51-0), with molecular formula C14H20N2O2S2 and molecular weight 312.10 g/mol. IUPAC: ethyl 2-(ethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of RefChem:326224
Property Insights of RefChem:326224
The XLogP value of 3.1099 indicates that RefChem:326224 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, RefChem:326224 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:326224 has 2 hydrogen bond donor(s) and 4 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 RefChem:326224?
The CAS number of RefChem:326224 is 59898-51-0.
What is the molecular formula of RefChem:326224?
The molecular formula of RefChem:326224 is C14H20N2O2S2.
What is the molecular weight of RefChem:326224?
The molecular weight of RefChem:326224 is 312.10 g/mol.
Where can I buy RefChem:326224?
You can request a quote for RefChem:326224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326224?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.