ChemDiv1_022968
TL;DR: ChemDiv1_022968 (CAS 351004-86-9) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzoylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate
Also Known As: ChemDiv1_022968, AJ-292/05474034, ethyl 2-(3-benzoylthioureido)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate, ethyl 2-(benzoylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate, ethyl 2-{[(benzoylamino)carbothioyl]amino}-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 3.2364 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 944.44244 |
Chemical Identifiers
| CAS Number | 351004-86-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2CC(OCC2=C1)(C)C)NC(=S)NC(=O)C3=CC=CC=C3 |
Product Overview
ChemDiv1_022968 (CAS 351004-86-9), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: ethyl 2-(benzoylcarbamothioylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_022968
Property Insights of ChemDiv1_022968
The XLogP value of 3.2364 indicates that ChemDiv1_022968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022968. Following Lipinski's Rule of Five, ChemDiv1_022968 has 2 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_022968?
The CAS number of ChemDiv1_022968 is 351004-86-9.
What is the molecular formula of ChemDiv1_022968?
The molecular formula of ChemDiv1_022968 is C21H23N3O4S.
What is the molecular weight of ChemDiv1_022968?
The molecular weight of ChemDiv1_022968 is 413.14 g/mol.
Where can I buy ChemDiv1_022968?
You can request a quote for ChemDiv1_022968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022968?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.