![8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/371/371936-77-5.png)
8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 371936-77-5) is a chemical compound with molecular formula C16H16ClN3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-chloro-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: ChemDiv3_003655, IDI1_021565, 8-chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C16H16ClN3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 4.7242 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.07535 |
| Heavy Atoms | 21 |
| Complexity | 840.51117 |
Chemical Identifiers
| CAS Number | 371936-77-5 |
|---|---|
| SMILES | CCCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)Cl |
Product Overview
8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 371936-77-5), with molecular formula C16H16ClN3S and molecular weight 317.08 g/mol. IUPAC: 13-chloro-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-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 4.7242 indicates that 8-Chloro-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 38.67 Ų, 8-Chloro-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-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline has 0 hydrogen bond donor(s) and 4 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 8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 371936-77-5.
What is the molecular formula of 8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C16H16ClN3S.
What is the molecular weight of 8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 317.08 g/mol.
Where can I buy 8-Chloro-5-propyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 8-Chloro-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-Chloro-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-Chloro-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.