![8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/3694/369403-09-8.webp)
8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 369403-09-8) is a chemical compound with molecular formula C24H23N3O2S2 and molecular weight 449.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(1,3-benzodioxol-5-ylmethylsulfanyl)-8-propyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene
Also Known As: 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 8-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 8-[(1,3-Benzodioxol-5-ylmethyl)thio]-1,2,3,4-tetrahydro-5-propylpyrimido[4a(2),5a(2):4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C24H23N3O2S2 |
|---|---|
| Molecular Weight | 449.12 g/mol |
| LogP | 6.0918 |
| Topological Polar Surface Area | 57.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.12317 |
| Heavy Atoms | 31 |
| Complexity | 1301.4574 |
Chemical Identifiers
| CAS Number | 369403-09-8 |
|---|---|
| SMILES | CCCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC5=CC6=C(C=C5)OCO6 |
Product Overview
8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 369403-09-8), with molecular formula C24H23N3O2S2 and molecular weight 449.12 g/mol. IUPAC: 13-(1,3-benzodioxol-5-ylmethylsulfanyl)-8-propyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene.
Chemical Property Profile of 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 6.0918 indicates that 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.13 Ų, 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 369403-09-8.
What is the molecular formula of 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C24H23N3O2S2.
What is the molecular weight of 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 449.12 g/mol.
Where can I buy 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.