![11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/3839/383902-66-7.webp)
11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 383902-66-7) is a chemical compound with molecular formula C17H18N6S and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(2-methylpropyl)-11-thia-3,5,6,7,8,13-hexazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene
Also Known As: 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 11-(2-methylpropyl)-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C17H18N6S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 3.3595 |
| Topological Polar Surface Area | 68.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.13138 |
| Heavy Atoms | 24 |
| Complexity | 1077.1985 |
Chemical Identifiers
| CAS Number | 383902-66-7 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NN=NN5C=N4 |
Product Overview
11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 383902-66-7), with molecular formula C17H18N6S and molecular weight 338.13 g/mol. IUPAC: 14-(2-methylpropyl)-11-thia-3,5,6,7,8,13-hexazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene.
Chemical Property Profile of 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 3.3595 indicates that 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline. Following Lipinski's Rule of Five, 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline has 0 hydrogen bond donor(s) and 6 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 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 383902-66-7.
What is the molecular formula of 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C17H18N6S.
What is the molecular weight of 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 338.13 g/mol.
Where can I buy 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[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 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 11-isobutyl-7,8,9,10-tetrahydrotetrazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.