ChemDiv2_001782
TL;DR: ChemDiv2_001782 (CAS 384370-56-3) is a chemical compound with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(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-yl)sulfanyl]propanoate
Also Known As: ChemDiv2_001782, methyl 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}propanoate, methyl 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)propanoate, METHYL 2-[(5-MORPHOLINO-1,2,3,4-TETRAHYDROPYRIMIDO[4',5':4,5]THIENO[2,3-C]ISOQUINOLIN-8-YL)SULFANYL]PROPANOATE
| Molecular Formula | C21H24N4O3S2 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 3.6085 |
| Topological Polar Surface Area | 77.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.129 |
| Heavy Atoms | 30 |
| Complexity | 1110.7589 |
Chemical Identifiers
| CAS Number | 384370-56-3 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=NC=NC2=C1SC3=C2C4=C(CCCC4)C(=N3)N5CCOCC5 |
Product Overview
ChemDiv2_001782 (CAS 384370-56-3), with molecular formula C21H24N4O3S2 and molecular weight 444.13 g/mol. IUPAC: methyl 2-[(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-yl)sulfanyl]propanoate.
Chemical Property Profile of ChemDiv2_001782
Property Insights of ChemDiv2_001782
The XLogP value of 3.6085 indicates that ChemDiv2_001782 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_001782. Following Lipinski's Rule of Five, ChemDiv2_001782 has 0 hydrogen bond donor(s) and 9 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_001782?
The CAS number of ChemDiv2_001782 is 384370-56-3.
What is the molecular formula of ChemDiv2_001782?
The molecular formula of ChemDiv2_001782 is C21H24N4O3S2.
What is the molecular weight of ChemDiv2_001782?
The molecular weight of ChemDiv2_001782 is 444.13 g/mol.
Where can I buy ChemDiv2_001782?
You can request a quote for ChemDiv2_001782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_001782?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_001782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.