ChemDiv1_025314
TL;DR: ChemDiv1_025314 (CAS 294875-80-2) is a chemical compound with molecular formula C16H22N2O3S2 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-(prop-2-enylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: ChemDiv1_025314, BAS 00338105, AB00094093-01, ethyl 2-(3-allylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 5,5-dimethyl-2-(prop-2-enylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C16H22N2O3S2 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 3.2485 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.10718 |
| Heavy Atoms | 23 |
| Complexity | 623.0867 |
Chemical Identifiers
| CAS Number | 294875-80-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NCC=C |
Product Overview
ChemDiv1_025314 (CAS 294875-80-2), with molecular formula C16H22N2O3S2 and molecular weight 354.11 g/mol. IUPAC: ethyl 5,5-dimethyl-2-(prop-2-enylcarbamothioylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_025314
Property Insights of ChemDiv1_025314
The XLogP value of 3.2485 indicates that ChemDiv1_025314 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_025314 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_025314 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_025314?
The CAS number of ChemDiv1_025314 is 294875-80-2.
What is the molecular formula of ChemDiv1_025314?
The molecular formula of ChemDiv1_025314 is C16H22N2O3S2.
What is the molecular weight of ChemDiv1_025314?
The molecular weight of ChemDiv1_025314 is 354.11 g/mol.
Where can I buy ChemDiv1_025314?
You can request a quote for ChemDiv1_025314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025314?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.