ChemDiv1_002976
TL;DR: ChemDiv1_002976 (CAS 355815-84-8) is a chemical compound with molecular formula C17H14ClNO2S and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
Also Known As: ChemDiv1_002976, 2-(2-chlorophenyl)-7-methyl-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one, 2-(2-chlorophenyl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one, 2-(2-chlorophenyl)-7-methyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]1,3-oxaz in-4-one, 2-(2-Chlorophenyl)-5,6,7,8-tetrahydro-7-methyl-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one
| Molecular Formula | C17H14ClNO2S |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 4.6947 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.04337 |
| Heavy Atoms | 22 |
| Complexity | 928.0439 |
Chemical Identifiers
| CAS Number | 355815-84-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)OC(=N3)C4=CC=CC=C4Cl |
Product Overview
ChemDiv1_002976 (CAS 355815-84-8), with molecular formula C17H14ClNO2S and molecular weight 331.04 g/mol. IUPAC: 2-(2-chlorophenyl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one.
Chemical Property Profile of ChemDiv1_002976
Property Insights of ChemDiv1_002976
The XLogP value of 4.6947 indicates that ChemDiv1_002976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, ChemDiv1_002976 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002976 has 0 hydrogen bond donor(s) and 4 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_002976?
The CAS number of ChemDiv1_002976 is 355815-84-8.
What is the molecular formula of ChemDiv1_002976?
The molecular formula of ChemDiv1_002976 is C17H14ClNO2S.
What is the molecular weight of ChemDiv1_002976?
The molecular weight of ChemDiv1_002976 is 331.04 g/mol.
Where can I buy ChemDiv1_002976?
You can request a quote for ChemDiv1_002976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002976?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.