ChemDiv1_021204
TL;DR: ChemDiv1_021204 (CAS 314042-00-7) is a chemical compound with molecular formula C20H22N2O4S2 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: ChemDiv1_021204, Ethyl 2-(3-benzoylthioureido)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, BAS 00338113, AB00076850-01, 2- (N'-Benzoyltioureido) -3-Ethoxycarbonyl-5,5-Dimethyl-5,7-Dihydro-4h-Thieno [2,3-C] Pyran
| Molecular Formula | C20H22N2O4S2 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 3.9029 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.1021 |
| Heavy Atoms | 28 |
| Complexity | 906.42957 |
Chemical Identifiers
| CAS Number | 314042-00-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NC(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv1_021204 (CAS 314042-00-7), with molecular formula C20H22N2O4S2 and molecular weight 418.10 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_021204
Property Insights of ChemDiv1_021204
The XLogP value of 3.9029 indicates that ChemDiv1_021204 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_021204. Following Lipinski's Rule of Five, ChemDiv1_021204 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_021204?
The CAS number of ChemDiv1_021204 is 314042-00-7.
What is the molecular formula of ChemDiv1_021204?
The molecular formula of ChemDiv1_021204 is C20H22N2O4S2.
What is the molecular weight of ChemDiv1_021204?
The molecular weight of ChemDiv1_021204 is 418.10 g/mol.
Where can I buy ChemDiv1_021204?
You can request a quote for ChemDiv1_021204 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021204?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021204 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.