ChemDiv1_002962
TL;DR: ChemDiv1_002962 (CAS 295779-35-0) is a chemical compound with molecular formula C18H25N3O2S and molecular weight 347.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-8-morpholin-4-yl-6-propan-2-ylsulfanyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
Also Known As: ChemDiv1_002962, BAS 01076510, AE-848/11105223, 3,3-dimethyl-8-morpholin-4-yl-6-propan-2-ylsulfanyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, 6-(isopropylsulfanyl)-3,3-dimethyl-8-(4-morpholinyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
| Molecular Formula | C18H25N3O2S |
|---|---|
| Molecular Weight | 347.17 g/mol |
| LogP | 3.14168 |
| Topological Polar Surface Area | 58.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.16675 |
| Heavy Atoms | 24 |
| Complexity | 661.2082 |
Chemical Identifiers
| CAS Number | 295779-35-0 |
|---|---|
| SMILES | CC(C)SC1=C(C2=C(COC(C2)(C)C)C(=N1)N3CCOCC3)C#N |
Product Overview
ChemDiv1_002962 (CAS 295779-35-0), with molecular formula C18H25N3O2S and molecular weight 347.17 g/mol. IUPAC: 3,3-dimethyl-8-morpholin-4-yl-6-propan-2-ylsulfanyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
Chemical Property Profile of ChemDiv1_002962
Property Insights of ChemDiv1_002962
The XLogP value of 3.14168 indicates that ChemDiv1_002962 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.38 Ų, ChemDiv1_002962 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002962 has 0 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 ChemDiv1_002962?
The CAS number of ChemDiv1_002962 is 295779-35-0.
What is the molecular formula of ChemDiv1_002962?
The molecular formula of ChemDiv1_002962 is C18H25N3O2S.
What is the molecular weight of ChemDiv1_002962?
The molecular weight of ChemDiv1_002962 is 347.17 g/mol.
Where can I buy ChemDiv1_002962?
You can request a quote for ChemDiv1_002962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002962?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.