ChemDiv1_006702
TL;DR: ChemDiv1_006702 (CAS 361193-06-8) is a chemical compound with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanylmethyl]furan-2-carboxylate
Also Known As: ChemDiv1_006702, AB00384471-12, methyl 5-(((5-cyano-3,3-dimethyl-8-morpholino-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)thio)methyl)furan-2-carboxylate, methyl 5-({[5-cyano-3,3-dimethyl-8-(morpholin-4-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C22H25N3O5S |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1515 |
| Heavy Atoms | 31 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 361193-06-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC(=C2C#N)SCC3=CC=C(O3)C(=O)OC)N4CCOCC4)C |
| InChIKey | ITJDFLFTFHNKGA-UHFFFAOYSA-N |
Product Overview
ChemDiv1_006702 (CAS 361193-06-8), with molecular formula C22H25N3O5S and molecular weight 443.15 g/mol. IUPAC: methyl 5-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of ChemDiv1_006702
Property Insights of ChemDiv1_006702
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_006702. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006702. Following Lipinski's Rule of Five, ChemDiv1_006702 has 0 hydrogen bond donor(s) and 9 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_006702?
The CAS number of ChemDiv1_006702 is 361193-06-8.
What is the molecular formula of ChemDiv1_006702?
The molecular formula of ChemDiv1_006702 is C22H25N3O5S.
What is the molecular weight of ChemDiv1_006702?
The molecular weight of ChemDiv1_006702 is 443.15 g/mol.
Where can I buy ChemDiv1_006702?
You can request a quote for ChemDiv1_006702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006702?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.