ChemDiv1_023122
TL;DR: ChemDiv1_023122 (CAS 352659-13-3) is a chemical compound with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 9-ethyl-9-methyl-11-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-14-carboxylate
Also Known As: ChemDiv1_023122, BAS 02141667, ethyl 6-ethyl-6-methyl-7-oxo-5,7,9,10-tetrahydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazoline-10-carboxylate, Ethyl 9-ethyl-9-methyl-11-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-14-carboxylate, 6-Ethyl-6-methyl-7-oxo-5,7,8,9-tetrahydro-6H-10-thia-7a,11-diaza-cyclopenta[b]ph
| Molecular Formula | C20H22N2O3S |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 3.1715 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.1351 |
| Heavy Atoms | 26 |
| Complexity | 952.55786 |
Chemical Identifiers
| CAS Number | 352659-13-3 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N4CC(SC4=N3)C(=O)OCC)C |
Product Overview
ChemDiv1_023122 (CAS 352659-13-3), with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol. IUPAC: ethyl 9-ethyl-9-methyl-11-oxo-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-14-carboxylate.
Chemical Property Profile of ChemDiv1_023122
Property Insights of ChemDiv1_023122
The XLogP value of 3.1715 indicates that ChemDiv1_023122 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023122. Following Lipinski's Rule of Five, ChemDiv1_023122 has 0 hydrogen bond donor(s) and 5 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_023122?
The CAS number of ChemDiv1_023122 is 352659-13-3.
What is the molecular formula of ChemDiv1_023122?
The molecular formula of ChemDiv1_023122 is C20H22N2O3S.
What is the molecular weight of ChemDiv1_023122?
The molecular weight of ChemDiv1_023122 is 370.14 g/mol.
Where can I buy ChemDiv1_023122?
You can request a quote for ChemDiv1_023122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023122?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.