ChemDiv3_007319
TL;DR: ChemDiv3_007319 (CAS 698980-90-4) is a chemical compound with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyethyl)-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione
Also Known As: ChemDiv3_007319, IDI1_025229, BRD-K33856827-001-01-0, A3666/0155405, 1-(2-methoxyethyl)-7,7-dimethyl-2-phenyl-1,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidine-4-thione
| Molecular Formula | C18H22N2O2S |
|---|---|
| Molecular Weight | 330.14 g/mol |
| LogP | 3.77729 |
| Topological Polar Surface Area | 36.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.1402 |
| Heavy Atoms | 23 |
| Complexity | 753.6072 |
Chemical Identifiers
| CAS Number | 698980-90-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=S)N=C(N2CCOC)C3=CC=CC=C3)C |
Product Overview
ChemDiv3_007319 (CAS 698980-90-4), with molecular formula C18H22N2O2S and molecular weight 330.14 g/mol. IUPAC: 1-(2-methoxyethyl)-7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidine-4-thione.
Chemical Property Profile of ChemDiv3_007319
Property Insights of ChemDiv3_007319
The XLogP value of 3.77729 indicates that ChemDiv3_007319 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.28 Ų, ChemDiv3_007319 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_007319 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 ChemDiv3_007319?
The CAS number of ChemDiv3_007319 is 698980-90-4.
What is the molecular formula of ChemDiv3_007319?
The molecular formula of ChemDiv3_007319 is C18H22N2O2S.
What is the molecular weight of ChemDiv3_007319?
The molecular weight of ChemDiv3_007319 is 330.14 g/mol.
Where can I buy ChemDiv3_007319?
You can request a quote for ChemDiv3_007319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007319?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.