TimTec1_005283
TL;DR: TimTec1_005283 (CAS 222716-41-8) is a chemical compound with molecular formula C22H22N2O3S and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methylchromen-4-one
Also Known As: TimTec1_005283, BAS 01057731, AB00079303-01, 3-(benzo[d]thiazol-2-yl)-8-((dimethylamino)methyl)-6-ethyl-7-hydroxy-2-methyl-4H-chromen-4-one, 3-(1,3-benzothiazol-2-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-4H-chromen-4-one
| Molecular Formula | C22H22N2O3S |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 4.70772 |
| Topological Polar Surface Area | 66.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1351 |
| Heavy Atoms | 28 |
| Complexity | 1221.3356 |
Chemical Identifiers
| CAS Number | 222716-41-8 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN(C)C)OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C |
Product Overview
TimTec1_005283 (CAS 222716-41-8), with molecular formula C22H22N2O3S and molecular weight 394.14 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methylchromen-4-one.
Chemical Property Profile of TimTec1_005283
Property Insights of TimTec1_005283
The XLogP value of 4.70772 indicates that TimTec1_005283 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.57 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005283. Following Lipinski's Rule of Five, TimTec1_005283 has 1 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 TimTec1_005283?
The CAS number of TimTec1_005283 is 222716-41-8.
What is the molecular formula of TimTec1_005283?
The molecular formula of TimTec1_005283 is C22H22N2O3S.
What is the molecular weight of TimTec1_005283?
The molecular weight of TimTec1_005283 is 394.14 g/mol.
Where can I buy TimTec1_005283?
You can request a quote for TimTec1_005283 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005283?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005283 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.