IFLab1_003283
TL;DR: IFLab1_003283 (CAS 342381-89-9) is a chemical compound with molecular formula C18H17NO5S and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3,4,5-trimethoxyphenyl)-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: IFLab1_003283, BAS 06105073, 2-(3,4,5-trimethoxyphenyl)-6,7-dihydrocyclopenta[4,5]thieno[2,3-d][1,3]oxazin-4(5H)-one, AE-848/13006021, F0745-1019
| Molecular Formula | C18H17NO5S |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 3.431 |
| Topological Polar Surface Area | 70.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.08273 |
| Heavy Atoms | 25 |
| Complexity | 995.2088 |
Chemical Identifiers
| CAS Number | 342381-89-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C4=C(S3)CCC4)C(=O)O2 |
Product Overview
IFLab1_003283 (CAS 342381-89-9), with molecular formula C18H17NO5S and molecular weight 359.08 g/mol. IUPAC: 10-(3,4,5-trimethoxyphenyl)-11-oxa-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of IFLab1_003283
Property Insights of IFLab1_003283
The XLogP value of 3.431 indicates that IFLab1_003283 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.79 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003283. Following Lipinski's Rule of Five, IFLab1_003283 has 0 hydrogen bond donor(s) and 7 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 IFLab1_003283?
The CAS number of IFLab1_003283 is 342381-89-9.
What is the molecular formula of IFLab1_003283?
The molecular formula of IFLab1_003283 is C18H17NO5S.
What is the molecular weight of IFLab1_003283?
The molecular weight of IFLab1_003283 is 359.08 g/mol.
Where can I buy IFLab1_003283?
You can request a quote for IFLab1_003283 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003283?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003283 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.