ChemDiv1_023144
TL;DR: ChemDiv1_023144 (CAS 351006-68-3) is a chemical compound with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-dimethyl-2-[(4-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: ChemDiv1_023144, AJ-292/40393207, ethyl 5,5-dimethyl-2-(3-(p-tolyl)thioureido)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 5,5-dimethyl-2-{[(4-methylphenyl)carbamothioyl]amino}-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, ethyl 5,5-dimethyl-2-[(4-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C20H24N2O3S2 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 4.89342 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.12283 |
| Heavy Atoms | 27 |
| Complexity | 856.85693 |
Chemical Identifiers
| CAS Number | 351006-68-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NC3=CC=C(C=C3)C |
Product Overview
ChemDiv1_023144 (CAS 351006-68-3), with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol. IUPAC: ethyl 5,5-dimethyl-2-[(4-methylphenyl)carbamothioylamino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_023144
Property Insights of ChemDiv1_023144
The XLogP value of 4.89342 indicates that ChemDiv1_023144 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_023144 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023144 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_023144?
The CAS number of ChemDiv1_023144 is 351006-68-3.
What is the molecular formula of ChemDiv1_023144?
The molecular formula of ChemDiv1_023144 is C20H24N2O3S2.
What is the molecular weight of ChemDiv1_023144?
The molecular weight of ChemDiv1_023144 is 404.12 g/mol.
Where can I buy ChemDiv1_023144?
You can request a quote for ChemDiv1_023144 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023144?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023144 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.