TimTec1_005462
TL;DR: TimTec1_005462 (CAS 31315-64-7) is a chemical compound with molecular formula C11H10ClNO2S and molecular weight 255.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)butan-1-one
Also Known As: TimTec1_005462, 1-(6-Chloro-2-thioxo-2,3-dihydrobenzo[d][1,3]oxazol-3-yl)-1-butanone, 1-(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)butan-1-one, 3-Butyryl-6-chloro-1,3-benzoxazole-2(3H)-thione, 1-(6-Chloro-2-thioxo-benzooxazol-3-yl)-butan-1-one
| Molecular Formula | C11H10ClNO2S |
|---|---|
| Molecular Weight | 255.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.01208 |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 31315-64-7 |
|---|---|
| SMILES | CCCC(=O)N1C2=C(C=C(C=C2)Cl)OC1=S |
| InChIKey | QYLIYXRWRKKCGN-UHFFFAOYSA-N |
Product Overview
TimTec1_005462 (CAS 31315-64-7), with molecular formula C11H10ClNO2S and molecular weight 255.01 g/mol. IUPAC: 1-(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)butan-1-one.
Chemical Property Profile of TimTec1_005462
Property Insights of TimTec1_005462
The XLogP value of 3.2 indicates that TimTec1_005462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005462. Following Lipinski's Rule of Five, TimTec1_005462 has 0 hydrogen bond donor(s) and 3 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_005462?
The CAS number of TimTec1_005462 is 31315-64-7.
What is the molecular formula of TimTec1_005462?
The molecular formula of TimTec1_005462 is C11H10ClNO2S.
What is the molecular weight of TimTec1_005462?
The molecular weight of TimTec1_005462 is 255.01 g/mol.
Where can I buy TimTec1_005462?
You can request a quote for TimTec1_005462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005462?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.