ChemDiv3_003218
TL;DR: ChemDiv3_003218 (CAS 328071-43-8) is a chemical compound with molecular formula C15H22N2O3S2 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(ethylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: ChemDiv3_003218, BAS 02376359, IDI1_021128, ethyl 2-(3-ethylthioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(ethylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C15H22N2O3S2 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.10718 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 328071-43-8 |
|---|---|
| SMILES | CCNC(=S)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC |
| InChIKey | INHKDVOXOPUQSJ-UHFFFAOYSA-N |
Product Overview
ChemDiv3_003218 (CAS 328071-43-8), with molecular formula C15H22N2O3S2 and molecular weight 342.11 g/mol. IUPAC: ethyl 2-(ethylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of ChemDiv3_003218
Property Insights of ChemDiv3_003218
The XLogP value of 3.0 indicates that ChemDiv3_003218 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003218. Following Lipinski's Rule of Five, ChemDiv3_003218 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 ChemDiv3_003218?
The CAS number of ChemDiv3_003218 is 328071-43-8.
What is the molecular formula of ChemDiv3_003218?
The molecular formula of ChemDiv3_003218 is C15H22N2O3S2.
What is the molecular weight of ChemDiv3_003218?
The molecular weight of ChemDiv3_003218 is 342.11 g/mol.
Where can I buy ChemDiv3_003218?
You can request a quote for ChemDiv3_003218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003218?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.