TimTec1_005903
TL;DR: TimTec1_005903 (CAS 309268-24-4) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid
Also Known As: TimTec1_005903, 2-((5-(ethoxycarbonyl)-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-yl)thio)acetic acid, {[5-(ethoxycarbonyl)-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic acid, 2-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid, A2064/0086815
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 309268-24-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC(=O)O)C |
| InChIKey | PIXSYPRIZYBGET-UHFFFAOYSA-N |
Product Overview
TimTec1_005903 (CAS 309268-24-4), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: 2-[(5-ethoxycarbonyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of TimTec1_005903
Property Insights of TimTec1_005903
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_005903. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_005903. Following Lipinski's Rule of Five, TimTec1_005903 has 2 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_005903?
The CAS number of TimTec1_005903 is 309268-24-4.
What is the molecular formula of TimTec1_005903?
The molecular formula of TimTec1_005903 is C16H18N2O4S.
What is the molecular weight of TimTec1_005903?
The molecular weight of TimTec1_005903 is 334.10 g/mol.
Where can I buy TimTec1_005903?
You can request a quote for TimTec1_005903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005903?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.