ChemDiv1_023188
TL;DR: ChemDiv1_023188 (CAS 243977-32-4) is a chemical compound with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: ChemDiv1_023188, ethyl 5-ethyl-5-methyl-2-{[(phenylcarbonyl)carbamothioyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(3-benzoylthioureido)-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(benzoylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ETHYL 5-ETHYL-5-METHYL-2-{[(PHENYLFORMAMIDO)METHANETHIOYL]AMINO}-4H,5H,7H-THIENO[2,3-C]PYRAN-3-CARBOXYLATE
| Molecular Formula | C21H24N2O4S2 |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 4.293 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.11774 |
| Heavy Atoms | 29 |
| Complexity | 926.2623 |
Chemical Identifiers
| CAS Number | 243977-32-4 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3)C |
Product Overview
ChemDiv1_023188 (CAS 243977-32-4), with molecular formula C21H24N2O4S2 and molecular weight 432.12 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_023188
Property Insights of ChemDiv1_023188
The XLogP value of 4.293 indicates that ChemDiv1_023188 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023188. Following Lipinski's Rule of Five, ChemDiv1_023188 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_023188?
The CAS number of ChemDiv1_023188 is 243977-32-4.
What is the molecular formula of ChemDiv1_023188?
The molecular formula of ChemDiv1_023188 is C21H24N2O4S2.
What is the molecular weight of ChemDiv1_023188?
The molecular weight of ChemDiv1_023188 is 432.12 g/mol.
Where can I buy ChemDiv1_023188?
You can request a quote for ChemDiv1_023188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023188?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.