ChemDiv1_024614
TL;DR: ChemDiv1_024614 (CAS 327168-64-9) is a chemical compound with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 11-oxospiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-14-carboxylate
Also Known As: ChemDiv1_024614, BAS 01322106, AB00100584-01, AJ-292/12785058, ethyl 7-oxo-5,7,9,10-tetrahydrospiro[benzo[h][1,3]thiazolo[2,3-b]quinazoline-6,1'-cyclopentane]-10-carboxylate
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 3.3156 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 991.4066 |
Chemical Identifiers
| CAS Number | 327168-64-9 |
|---|---|
| SMILES | CCOC(=O)C1CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2S1 |
Product Overview
ChemDiv1_024614 (CAS 327168-64-9), with molecular formula C21H22N2O3S and molecular weight 382.14 g/mol. IUPAC: ethyl 11-oxospiro[15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaene-9,1'-cyclopentane]-14-carboxylate.
Chemical Property Profile of ChemDiv1_024614
Property Insights of ChemDiv1_024614
The XLogP value of 3.3156 indicates that ChemDiv1_024614 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_024614. Following Lipinski's Rule of Five, ChemDiv1_024614 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_024614?
The CAS number of ChemDiv1_024614 is 327168-64-9.
What is the molecular formula of ChemDiv1_024614?
The molecular formula of ChemDiv1_024614 is C21H22N2O3S.
What is the molecular weight of ChemDiv1_024614?
The molecular weight of ChemDiv1_024614 is 382.14 g/mol.
Where can I buy ChemDiv1_024614?
You can request a quote for ChemDiv1_024614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024614?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.