TimTec1_000305
TL;DR: TimTec1_000305 (CAS 329211-50-9) is a chemical compound with molecular formula C17H19NOS3 and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one
Also Known As: TimTec1_000305, BAS 00351271, BRD-K97424321-001-01-1, 2-methyl-1-(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)propan-1-one, 2-methyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one
| Molecular Formula | C17H19NOS3 |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.06287 |
| Heavy Atoms | 22 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 329211-50-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C(C)C |
| InChIKey | LEFXBNGQMHDSQT-UHFFFAOYSA-N |
Product Overview
TimTec1_000305 (CAS 329211-50-9), with molecular formula C17H19NOS3 and molecular weight 349.06 g/mol. IUPAC: 2-methyl-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one.
Chemical Property Profile of TimTec1_000305
Property Insights of TimTec1_000305
The XLogP value of 3.7 indicates that TimTec1_000305 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000305. Following Lipinski's Rule of Five, TimTec1_000305 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 TimTec1_000305?
The CAS number of TimTec1_000305 is 329211-50-9.
What is the molecular formula of TimTec1_000305?
The molecular formula of TimTec1_000305 is C17H19NOS3.
What is the molecular weight of TimTec1_000305?
The molecular weight of TimTec1_000305 is 349.06 g/mol.
Where can I buy TimTec1_000305?
You can request a quote for TimTec1_000305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000305?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.