ChemDiv3_006976
TL;DR: ChemDiv3_006976 (CAS 573947-03-2) is a chemical compound with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine
Also Known As: ChemDiv3_006976, IDI1_024886, BRD-K34684813-001-01-1, A3688/0156471, 2-(4-methoxyphenyl)-7,7-dimethyl-4-(methylsulfanyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
| Molecular Formula | C17H20N2O2S |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 3.7254 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.12454 |
| Heavy Atoms | 22 |
| Complexity | 683.80347 |
Chemical Identifiers
| CAS Number | 573947-03-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC(=N2)C3=CC=C(C=C3)OC)SC)C |
Product Overview
ChemDiv3_006976 (CAS 573947-03-2), with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol. IUPAC: 2-(4-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine.
Chemical Property Profile of ChemDiv3_006976
Property Insights of ChemDiv3_006976
The XLogP value of 3.7254 indicates that ChemDiv3_006976 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, ChemDiv3_006976 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006976 has 0 hydrogen bond donor(s) and 5 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_006976?
The CAS number of ChemDiv3_006976 is 573947-03-2.
What is the molecular formula of ChemDiv3_006976?
The molecular formula of ChemDiv3_006976 is C17H20N2O2S.
What is the molecular weight of ChemDiv3_006976?
The molecular weight of ChemDiv3_006976 is 316.12 g/mol.
Where can I buy ChemDiv3_006976?
You can request a quote for ChemDiv3_006976 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006976?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006976 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.