5-18-12-00219 (Beilstein Handbook Reference)
TL;DR: 5-18-12-00219 (Beilstein Handbook Reference) (CAS 59898-48-5) is a chemical compound with molecular formula C13H18N2O2S2 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: 5-18-12-00219 (Beilstein Handbook Reference), BAS 00700463, BIM-0027961.P001, 4H-Cyclopenta(b)thiophene-3-carboxylic acid, 5,6-dihydro-2-(((ethylamino)thioxomethyl)amino)-, ethyl ester, AB00093370-01
| Molecular Formula | C13H18N2O2S2 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.7198 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.08096 |
| Heavy Atoms | 19 |
| Complexity | 497.07782 |
Chemical Identifiers
| CAS Number | 59898-48-5 |
|---|---|
| SMILES | CCNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OCC |
Product Overview
5-18-12-00219 (Beilstein Handbook Reference) (CAS 59898-48-5), with molecular formula C13H18N2O2S2 and molecular weight 298.08 g/mol. IUPAC: ethyl 2-(ethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of 5-18-12-00219 (Beilstein Handbook Reference)
Property Insights of 5-18-12-00219 (Beilstein Handbook Reference)
The XLogP value of 2.7198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-18-12-00219 (Beilstein Handbook Reference). With a topological polar surface area (TPSA) of 50.36 Ų, 5-18-12-00219 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-18-12-00219 (Beilstein Handbook Reference) 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 5-18-12-00219 (Beilstein Handbook Reference)?
The CAS number of 5-18-12-00219 (Beilstein Handbook Reference) is 59898-48-5.
What is the molecular formula of 5-18-12-00219 (Beilstein Handbook Reference)?
The molecular formula of 5-18-12-00219 (Beilstein Handbook Reference) is C13H18N2O2S2.
What is the molecular weight of 5-18-12-00219 (Beilstein Handbook Reference)?
The molecular weight of 5-18-12-00219 (Beilstein Handbook Reference) is 298.08 g/mol.
Where can I buy 5-18-12-00219 (Beilstein Handbook Reference)?
You can request a quote for 5-18-12-00219 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-18-12-00219 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-18-12-00219 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.