ChemDiv2_004392
TL;DR: ChemDiv2_004392 (CAS 372173-14-3) is a chemical compound with molecular formula C21H27N5OS and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-N-(2-morpholin-4-ylethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
Also Known As: ChemDiv2_004392, IDI1_003107, 5-ethyl-N-(2-morpholinoethyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine, 5-ethyl-N-[2-(morpholin-4-yl)ethyl]-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
| Molecular Formula | C21H27N5OS |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 3.4248 |
| Topological Polar Surface Area | 63.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.19363 |
| Heavy Atoms | 28 |
| Complexity | 995.52905 |
Chemical Identifiers
| CAS Number | 372173-14-3 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)NCCN5CCOCC5 |
Product Overview
ChemDiv2_004392 (CAS 372173-14-3), with molecular formula C21H27N5OS and molecular weight 397.19 g/mol. IUPAC: 8-ethyl-N-(2-morpholin-4-ylethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine.
Chemical Property Profile of ChemDiv2_004392
Property Insights of ChemDiv2_004392
The XLogP value of 3.4248 indicates that ChemDiv2_004392 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004392. Following Lipinski's Rule of Five, ChemDiv2_004392 has 1 hydrogen bond donor(s) and 7 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_004392?
The CAS number of ChemDiv2_004392 is 372173-14-3.
What is the molecular formula of ChemDiv2_004392?
The molecular formula of ChemDiv2_004392 is C21H27N5OS.
What is the molecular weight of ChemDiv2_004392?
The molecular weight of ChemDiv2_004392 is 397.19 g/mol.
Where can I buy ChemDiv2_004392?
You can request a quote for ChemDiv2_004392 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004392?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004392 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.