ChemDiv3_005381
TL;DR: ChemDiv3_005381 (CAS 372171-67-0) is a chemical compound with molecular formula C23H24N4S and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-N-(2-phenylethyl)-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: ChemDiv3_005381, IDI1_023291, BRD-K36019869-001-01-1, 5-ethyl-N-(2-phenylethyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine, 5-ethyl-N-phenethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
| Molecular Formula | C23H24N4S |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | 5.3353 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.17218 |
| Heavy Atoms | 28 |
| Complexity | 1133.973 |
Chemical Identifiers
| CAS Number | 372171-67-0 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)NCCC5=CC=CC=C5 |
Product Overview
ChemDiv3_005381 (CAS 372171-67-0), with molecular formula C23H24N4S and molecular weight 388.17 g/mol. IUPAC: 8-ethyl-N-(2-phenylethyl)-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 ChemDiv3_005381
Property Insights of ChemDiv3_005381
The XLogP value of 5.3353 indicates that ChemDiv3_005381 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, ChemDiv3_005381 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005381 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_005381?
The CAS number of ChemDiv3_005381 is 372171-67-0.
What is the molecular formula of ChemDiv3_005381?
The molecular formula of ChemDiv3_005381 is C23H24N4S.
What is the molecular weight of ChemDiv3_005381?
The molecular weight of ChemDiv3_005381 is 388.17 g/mol.
Where can I buy ChemDiv3_005381?
You can request a quote for ChemDiv3_005381 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005381?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005381 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.