ChemDiv1_023354
TL;DR: ChemDiv1_023354 (CAS 371202-76-5) 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.
N,N-diethyl-8-morpholin-4-yl-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: ChemDiv1_023354, N,N-diethyl-5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine, diethyl(5-morpholin-4-yl(1,2,3,4-tetrahydroisoquinolino[4',3'-5,4]thiopheno[2, 3-e]pyrimidin-8-yl))amine, N,N-diethyl-5-(morpholin-4-yl)-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 | 3.8011 |
| Topological Polar Surface Area | 54.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.19363 |
| Heavy Atoms | 28 |
| Complexity | 1007.1075 |
Chemical Identifiers
| CAS Number | 371202-76-5 |
|---|---|
| SMILES | CCN(CC)C1=NC=NC2=C1SC3=C2C4=C(CCCC4)C(=N3)N5CCOCC5 |
Product Overview
ChemDiv1_023354 (CAS 371202-76-5), with molecular formula C21H27N5OS and molecular weight 397.19 g/mol. IUPAC: N,N-diethyl-8-morpholin-4-yl-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 ChemDiv1_023354
Property Insights of ChemDiv1_023354
The XLogP value of 3.8011 indicates that ChemDiv1_023354 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.38 Ų, ChemDiv1_023354 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023354 has 0 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 ChemDiv1_023354?
The CAS number of ChemDiv1_023354 is 371202-76-5.
What is the molecular formula of ChemDiv1_023354?
The molecular formula of ChemDiv1_023354 is C21H27N5OS.
What is the molecular weight of ChemDiv1_023354?
The molecular weight of ChemDiv1_023354 is 397.19 g/mol.
Where can I buy ChemDiv1_023354?
You can request a quote for ChemDiv1_023354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023354?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.