ChemDiv3_004166
TL;DR: ChemDiv3_004166 (CAS 433247-34-8) is a chemical compound with molecular formula C18H19NO2S2 and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyl-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
Also Known As: ChemDiv3_004166, IDI1_022076, BRD-A14602979-001-01-9, 7-tert-butyl-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one, 7-tert-butyl-2-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one
| Molecular Formula | C18H19NO2S2 |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 5.129 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.08572 |
| Heavy Atoms | 23 |
| Complexity | 913.0346 |
Chemical Identifiers
| CAS Number | 433247-34-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)OC(=N3)C4=CC=CS4 |
Product Overview
ChemDiv3_004166 (CAS 433247-34-8), with molecular formula C18H19NO2S2 and molecular weight 345.09 g/mol. IUPAC: 7-tert-butyl-2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one.
Chemical Property Profile of ChemDiv3_004166
Property Insights of ChemDiv3_004166
The XLogP value of 5.129 indicates that ChemDiv3_004166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, ChemDiv3_004166 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004166 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_004166?
The CAS number of ChemDiv3_004166 is 433247-34-8.
What is the molecular formula of ChemDiv3_004166?
The molecular formula of ChemDiv3_004166 is C18H19NO2S2.
What is the molecular weight of ChemDiv3_004166?
The molecular weight of ChemDiv3_004166 is 345.09 g/mol.
Where can I buy ChemDiv3_004166?
You can request a quote for ChemDiv3_004166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004166?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.