ChemDiv1_023396
TL;DR: ChemDiv1_023396 (CAS 371930-31-3) is a chemical compound with molecular formula C22H27N5OS and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(13-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-8-yl)morpholine
Also Known As: ChemDiv1_023396, 4-(8-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine, 5-(morpholin-4-yl)-8-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C22H27N5OS |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 3.9452 |
| Topological Polar Surface Area | 54.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.19363 |
| Heavy Atoms | 29 |
| Complexity | 1052.4591 |
Chemical Identifiers
| CAS Number | 371930-31-3 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC=NC3=C2SC4=C3C5=C(CCCC5)C(=N4)N6CCOCC6 |
Product Overview
ChemDiv1_023396 (CAS 371930-31-3), with molecular formula C22H27N5OS and molecular weight 409.19 g/mol. IUPAC: 4-(13-piperidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-8-yl)morpholine.
Chemical Property Profile of ChemDiv1_023396
Property Insights of ChemDiv1_023396
The XLogP value of 3.9452 indicates that ChemDiv1_023396 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_023396 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023396 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_023396?
The CAS number of ChemDiv1_023396 is 371930-31-3.
What is the molecular formula of ChemDiv1_023396?
The molecular formula of ChemDiv1_023396 is C22H27N5OS.
What is the molecular weight of ChemDiv1_023396?
The molecular weight of ChemDiv1_023396 is 409.19 g/mol.
Where can I buy ChemDiv1_023396?
You can request a quote for ChemDiv1_023396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023396?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.