ChemDiv1_008117
TL;DR: ChemDiv1_008117 (CAS 370840-16-7) is a chemical compound with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
Also Known As: ChemDiv1_008117, DivK1c_002757, CDS1_001717, AE-848/13196075, ethyl 3-((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)propanoate
| Molecular Formula | C20H27N3O4S |
|---|---|
| Molecular Weight | 405.17 g/mol |
| LogP | 2.68648 |
| Topological Polar Surface Area | 84.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.17224 |
| Heavy Atoms | 28 |
| Complexity | 769.6948 |
Chemical Identifiers
| CAS Number | 370840-16-7 |
|---|---|
| SMILES | CCOC(=O)CCSC1=C(C2=C(COC(C2)(C)C)C(=N1)N3CCOCC3)C#N |
Product Overview
ChemDiv1_008117 (CAS 370840-16-7), with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol. IUPAC: ethyl 3-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate.
Chemical Property Profile of ChemDiv1_008117
Property Insights of ChemDiv1_008117
The XLogP value of 2.68648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008117. The TPSA of 84.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008117. Following Lipinski's Rule of Five, ChemDiv1_008117 has 0 hydrogen bond donor(s) and 8 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_008117?
The CAS number of ChemDiv1_008117 is 370840-16-7.
What is the molecular formula of ChemDiv1_008117?
The molecular formula of ChemDiv1_008117 is C20H27N3O4S.
What is the molecular weight of ChemDiv1_008117?
The molecular weight of ChemDiv1_008117 is 405.17 g/mol.
Where can I buy ChemDiv1_008117?
You can request a quote for ChemDiv1_008117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008117?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.