TimTec1_000922
TL;DR: TimTec1_000922 (CAS 295804-15-8) is a chemical compound with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: TimTec1_000922, BAS 00369117, phenethyl 4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, BRD-A53464234-001-01-7, 2-PHENYLETHYL 4-[4-(DIMETHYLAMINO)PHENYL]-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C22H25N3O2S |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 3.3313 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.16675 |
| Heavy Atoms | 28 |
| Complexity | 876.4147 |
Chemical Identifiers
| CAS Number | 295804-15-8 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N(C)C)C(=O)OCCC3=CC=CC=C3 |
Product Overview
TimTec1_000922 (CAS 295804-15-8), with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol. IUPAC: 2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of TimTec1_000922
Property Insights of TimTec1_000922
The XLogP value of 3.3313 indicates that TimTec1_000922 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, TimTec1_000922 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_000922 has 2 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_000922?
The CAS number of TimTec1_000922 is 295804-15-8.
What is the molecular formula of TimTec1_000922?
The molecular formula of TimTec1_000922 is C22H25N3O2S.
What is the molecular weight of TimTec1_000922?
The molecular weight of TimTec1_000922 is 395.17 g/mol.
Where can I buy TimTec1_000922?
You can request a quote for TimTec1_000922 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000922?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000922 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.