ChemDiv2_001109
TL;DR: ChemDiv2_001109 (CAS 200959-69-9) is a chemical compound with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-benzamido-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxylate
Also Known As: ChemDiv2_001109, AN-512/13208102, ethyl 3-(benzoylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate, ethyl 3-benzamido-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridine-2-carboxylate, ETHYL 6-BENZAMIDO-12,12-DIMETHYL-11-OXA-4-THIA-2-AZATRICYCLO[7.4.0.0(3),?]TRIDECA-1(9),2,5,7-TETRAENE-5-CARBOXYLATE
| Molecular Formula | C22H22N2O4S |
|---|---|
| Molecular Weight | 410.13 g/mol |
| LogP | 4.5766 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.13004 |
| Heavy Atoms | 29 |
| Complexity | 1089.1354 |
Chemical Identifiers
| CAS Number | 200959-69-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)N=C3CC(OCC3=C2)(C)C)NC(=O)C4=CC=CC=C4 |
Product Overview
ChemDiv2_001109 (CAS 200959-69-9), with molecular formula C22H22N2O4S and molecular weight 410.13 g/mol. IUPAC: ethyl 6-benzamido-12,12-dimethyl-11-oxa-4-thia-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraene-5-carboxylate.
Chemical Property Profile of ChemDiv2_001109
Property Insights of ChemDiv2_001109
The XLogP value of 4.5766 indicates that ChemDiv2_001109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001109. Following Lipinski's Rule of Five, ChemDiv2_001109 has 1 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 ChemDiv2_001109?
The CAS number of ChemDiv2_001109 is 200959-69-9.
What is the molecular formula of ChemDiv2_001109?
The molecular formula of ChemDiv2_001109 is C22H22N2O4S.
What is the molecular weight of ChemDiv2_001109?
The molecular weight of ChemDiv2_001109 is 410.13 g/mol.
Where can I buy ChemDiv2_001109?
You can request a quote for ChemDiv2_001109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001109?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.