TimTec1_002591
TL;DR: TimTec1_002591 (CAS 309741-06-8) is a chemical compound with molecular formula C15H18ClN3O2S and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methoxy-N-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzamide
Also Known As: TimTec1_002591, A2286/0096256, 5-chloro-2-methoxy-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)benzamide, 5-chloro-2-methoxy-N-(4,4,6-trimethyl-2-sulfanylpyrimidin-1(4H)-yl)benzamide, 5-Chloro-2-methoxy-N-(4,4,6-trimethyl-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)benzamide
| Molecular Formula | C15H18ClN3O2S |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.0808 |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 309741-06-8 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1NC(=O)C2=C(C=CC(=C2)Cl)OC)(C)C |
| InChIKey | SSDBNDNDGMKFEB-UHFFFAOYSA-N |
Product Overview
TimTec1_002591 (CAS 309741-06-8), with molecular formula C15H18ClN3O2S and molecular weight 339.08 g/mol. IUPAC: 5-chloro-2-methoxy-N-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzamide.
Chemical Property Profile of TimTec1_002591
Property Insights of TimTec1_002591
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_002591. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_002591. Following Lipinski's Rule of Five, TimTec1_002591 has 2 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_002591?
The CAS number of TimTec1_002591 is 309741-06-8.
What is the molecular formula of TimTec1_002591?
The molecular formula of TimTec1_002591 is C15H18ClN3O2S.
What is the molecular weight of TimTec1_002591?
The molecular weight of TimTec1_002591 is 339.08 g/mol.
Where can I buy TimTec1_002591?
You can request a quote for TimTec1_002591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002591?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.