ChemDiv1_002995
TL;DR: ChemDiv1_002995 (CAS 342379-34-4) is a chemical compound with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione
Also Known As: ChemDiv1_002995, BAS 06105068, AE-848/12505084, 1-[4-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione, 1-(4-(5,6-dimethyl-4-oxo-4H-thieno[2,3-d][1,3]oxazin-2-yl)phenyl)pyrrolidine-2,5-dione
| Molecular Formula | C18H14N2O4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 3.18674 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.0674 |
| Heavy Atoms | 25 |
| Complexity | 1062.8894 |
Chemical Identifiers
| CAS Number | 342379-34-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)OC(=N2)C3=CC=C(C=C3)N4C(=O)CCC4=O)C |
Product Overview
ChemDiv1_002995 (CAS 342379-34-4), with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol. IUPAC: 1-[4-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)phenyl]pyrrolidine-2,5-dione.
Chemical Property Profile of ChemDiv1_002995
Property Insights of ChemDiv1_002995
The XLogP value of 3.18674 indicates that ChemDiv1_002995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002995. Following Lipinski's Rule of Five, ChemDiv1_002995 has 0 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_002995?
The CAS number of ChemDiv1_002995 is 342379-34-4.
What is the molecular formula of ChemDiv1_002995?
The molecular formula of ChemDiv1_002995 is C18H14N2O4S.
What is the molecular weight of ChemDiv1_002995?
The molecular weight of ChemDiv1_002995 is 354.07 g/mol.
Where can I buy ChemDiv1_002995?
You can request a quote for ChemDiv1_002995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002995?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.