ChemDiv1_023705
TL;DR: ChemDiv1_023705 (CAS 356587-54-7) is a chemical compound with molecular formula C21H26N2O3S2 and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: ChemDiv1_023705, BIM-0017100.P001, AJ-292/40343161, ethyl 2-(benzylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ethyl 2-(3-benzylthioureido)-5-ethyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C21H26N2O3S2 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.6528 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.1385 |
| Heavy Atoms | 28 |
| Complexity | 850.83563 |
Chemical Identifiers
| CAS Number | 356587-54-7 |
|---|---|
| SMILES | CCC1(CC2=C(CO1)SC(=C2C(=O)OCC)NC(=S)NCC3=CC=CC=C3)C |
Product Overview
ChemDiv1_023705 (CAS 356587-54-7), with molecular formula C21H26N2O3S2 and molecular weight 418.14 g/mol. IUPAC: ethyl 2-(benzylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_023705
Property Insights of ChemDiv1_023705
The XLogP value of 4.6528 indicates that ChemDiv1_023705 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, ChemDiv1_023705 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023705 has 2 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 ChemDiv1_023705?
The CAS number of ChemDiv1_023705 is 356587-54-7.
What is the molecular formula of ChemDiv1_023705?
The molecular formula of ChemDiv1_023705 is C21H26N2O3S2.
What is the molecular weight of ChemDiv1_023705?
The molecular weight of ChemDiv1_023705 is 418.14 g/mol.
Where can I buy ChemDiv1_023705?
You can request a quote for ChemDiv1_023705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023705?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.