TimTec1_003701
TL;DR: TimTec1_003701 (CAS 442656-01-1) is a chemical compound with molecular formula C21H13ClFN5OS2 and molecular weight 469.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenothiazin-10-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylethanone
Also Known As: TimTec1_003701, BRD-K32314492-001-01-5, A2763/0117207, 1-(2-chlorophenothiazin-10-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylethanone, 1-(2-CHLORO-10H-PHENOTHIAZIN-10-YL)-2-{[1-(2-FLUOROPHENYL)-1H-1,2,3,4-TETRAZOL-5-YL]SULFANYL}ETHAN-1-ONE
| Molecular Formula | C21H13ClFN5OS2 |
|---|---|
| Molecular Weight | 469.02 g/mol |
| LogP | 5.3764 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.0234 |
| Heavy Atoms | 31 |
| Complexity | 1298.2676 |
Chemical Identifiers
| CAS Number | 442656-01-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=NN=N2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)F |
Product Overview
TimTec1_003701 (CAS 442656-01-1), with molecular formula C21H13ClFN5OS2 and molecular weight 469.02 g/mol. IUPAC: 1-(2-chlorophenothiazin-10-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanylethanone.
Chemical Property Profile of TimTec1_003701
Property Insights of TimTec1_003701
The XLogP value of 5.3764 indicates that TimTec1_003701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003701. Following Lipinski's Rule of Five, TimTec1_003701 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_003701?
The CAS number of TimTec1_003701 is 442656-01-1.
What is the molecular formula of TimTec1_003701?
The molecular formula of TimTec1_003701 is C21H13ClFN5OS2.
What is the molecular weight of TimTec1_003701?
The molecular weight of TimTec1_003701 is 469.02 g/mol.
Where can I buy TimTec1_003701?
You can request a quote for TimTec1_003701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003701?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.